SPPO13

• CAS: 1234510-13-4
• Catalog Number: ACM1234510134-1
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 716.74 g/mol
• Molecular Formula: C49H34O2P2
• Description: OLED phosphorescent host material.
• Synonyms: 2,7-Bis(diphenylphosphoryl)-9,9'-spirobifluorene
• IUPAC Name: 2',7'-bis(diphenylphosphoryl)-9,9'-spirobi[fluorene]
• Canonical SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)P(=O)(C9=CC=CC=C9)C1=CC=CC=C1
• InChI: InChI=1S/C49H34O2P2/c50-52(35-17-5-1-6-18-35,36-19-7-2-8-20-36)39-29-31-43-44-32-30-40(53(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)49(47(43)33-39)45-27-15-13-25-41(45)42-26-14-16-28-46(42)49/h1-34H
• InChI Key: QZSXXAOHMOQXAZ-UHFFFAOYSA-N
• Storage: room temp
• Complexity: 1200
• Covalently-Bonded Unit Count: 1
• Exact Mass: 716.203404g/mol
• Formal Charge: 0
• Grade: Sublimed >99%
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 53
• Monoisotopic Mass: 716.203404g/mol
• PL Peak: 373 nm (in CH2Cl2)
• Rotatable Bond Count: 6
• TGA: >330 ℃ (0.5% weight loss)
• UV Peak: 282 nm (in CH2Cl2)
• XLogP3: 10.6

Custom Q&A

What is the molecular formula of SPPO13?

The molecular formula of SPPO13 is C49H34O2P2.

What is the molecular weight of SPPO13?

The molecular weight of SPPO13 is 716.7 g/mol.

When was SPPO13 created?

SPPO13 was created on February 13, 2015.

When was SPPO13 last modified?

SPPO13 was last modified on December 30, 2023.

What is the IUPAC name of SPPO13?

The IUPAC name of SPPO13 is 2',7'-bis(diphenylphosphoryl)-9,9'-spirobi[fluorene].

What is the InChI of SPPO13?

The InChI of SPPO13 is InChI=1S/C49H34O2P2/c50-52(35-17-5-1-6-18-35,36-19-7-2-8-20-36)39-29-31-43-44-32-30-40(53(51,37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)49(47(43)33-39)45-27-15-13-25-41(45)42-26-14-16-28-46(42)49/h1-34H.

What is the InChIKey of SPPO13?

The InChIKey of SPPO13 is QZSXXAOHMOQXAZ-UHFFFAOYSA-N.

What is the Canonical SMILES of SPPO13?

The Canonical SMILES of SPPO13 is C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)P(=O)(C9=CC=CC=C9)C1=CC=CC=C1.

How many hydrogen bond donors are there in SPPO13?

There are 0 hydrogen bond donors in SPPO13.

How many hydrogen bond acceptors are there in SPPO13?

There are 2 hydrogen bond acceptors in SPPO13.