SubPC

• CAS: 36530-06-0
• Catalog Number: ACM36530060
• Category: Organic Photovoltaic (OPV)
• Molecular Weight: 430.7g/mol
• Molecular Formula: C24H12BClN6
• Synonyms: BORON SUBPHTHALOCYANINE CHLORIDE;Boron subphthalocyanine chloride Dye content ~85 %
• IUPAC Name: 12-chloro-2,11,13,22,30,31-hexaza-12-boraoctacyclo[21.6.1.110,14.03,11.04,9.013,21.015,20.024,29]hentriaconta-1,3,5,7,9,14(31),15,17,19,21,23(30),24,26,28-tetradecaene
• SMILES: B1(N2C3=C4C=CC=CC4=C2N=C5N1C(=NC6=NC(=N3)C7=CC=CC=C76)C8=CC=CC=C85)Cl
• InChI: InChI=1S/C24H12BClN6/c26-25-31-21-15-9-3-5-11-17(15)23(31)30-24-18-12-6-4-10-16(18)22(32(24)25)29-20-14-8-2-1-7-13(14)19(27-20)28-21/h1-12H
• InChI Key: IFJKCEPOUBWFFD-UHFFFAOYSA-N
• Complexity: 904
• Covalently-Bonded Unit Count: 1
• Exact Mass: 430.090502g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 32
• Monoisotopic Mass: 430.090502g/mol
• Rotatable Bond Count: 0

Custom Q&A

What is the molecular formula of SubPC according to the reference?

The molecular formula of SubPC is C24H12BClN6.

When was SubPC created according to the reference?

SubPC was created on October 28, 2006.

What is the molecular weight of SubPC according to the reference?

The molecular weight of SubPC is 430.7 g/mol.

How many hydrogen bond acceptor counts are there for SubPC according to the reference?

There are 2 hydrogen bond acceptor counts for SubPC.

What is the exact mass of SubPC according to the reference?

The exact mass of SubPC is 430.0905023 g/mol.

How many heavy atoms are present in SubPC according to the reference?

There are 32 heavy atoms present in SubPC.

Is the compound canonicalized according to the reference?

Yes, the compound is canonicalized.

What is the InChIKey of SubPC according to the reference?

The InChIKey of SubPC is IFJKCEPOUBWFFD-UHFFFAOYSA-N.

How many rotatable bond counts are there for SubPC according to the reference?

There are 0 rotatable bond counts for SubPC.

What is the topological polar surface area of SubPC according to the reference?

The topological polar surface area of SubPC is 57.6 ?2.