Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

• Catalog Number: ACM666826160-1
• Product Name: Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• CAS: 666826-16-0
• Category: Heterocyclic Organic Compound
• Synonyms: 666826-16-0;Bis(1,5-cyclooctadiene)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate;Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate;DTXSID10746220;PUBCHEM_71310531;MFCD10567389;BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I)TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE,98%
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• Molecular Weight: 1271.805g/mol
• Molecular Formula: C48H36BF24Ir-
• Canonical SMILES: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir]
• InChI: InChI=1S/C32H12BF24.2C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;/b;2*2-1-,8-7-
• InChI Key: ZFOUGNAJKPZBPO-AUUWQFPRSA-N
• Complexity: 1120
• Covalently-Bonded Unit Count: 4
• Defined Bond Stereocenter Count: 4
• Exact Mass: 1272.216g/mol
• Formal Charge: -1
• H-Bond Acceptor: 25
• Heavy Atom Count: 74
• Monoisotopic Mass: 1272.216g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The molecular formula is C48H36BF24Ir.

What is the molecular weight of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The molecular weight is 1271.8 g/mol.

What is the IUPAC name of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene; iridium; tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

What is the CAS number of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The CAS number is 666826-16-0.

What is the hydrogen bond donor count of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The hydrogen bond acceptor count is 25.

What is the rotatable bond count of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The rotatable bond count is 4.

What is the exact mass of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The exact mass is 1272.21561 g/mol.

What is the topological polar surface area of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The topological polar surface area is 0-2.

What is the formal charge of Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate?

The formal charge is -1.