4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole

C65H44P2 — CID 155333299

About 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole

4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole (PubChem CID 155333299) has the molecular formula C65H44P2 and a molecular weight of 887.02 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole.

Molecular Properties

• Compound Name: 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole
• PubChem CID: 155333299
• Molecular Formula: C65H44P2
• Molecular Weight: 887.02 g/mol
• Exact Mass: 886.29
• IUPAC Name: 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3c4cccc(-c5cccc6c7ccccc7p(-c7ccccc7)c56)c4cc4c(-c5cccc6c7ccccc7p(-c7ccccc7)c56)cccc34)c21
• InChI: InChI=1S/C65H44P2/c1-65(2)58-37-12-9-24-45(58)50-31-17-36-55(62(50)65)61-48-29-15-27-43(51-32-18-34-53-46-25-10-13-38-59(46)66(63(51)53)41-20-5-3-6-21-41)56(48)40-57-44(28-16-30-49(57)61)52-33-19-35-54-47-26-11-14-39-60(47)67(64(52)54)42-22-7-4-8-23-42/h3-40H,1-2H3
• InChIKey: AZOBVGGLXLXSCS-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.02
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole?

The IUPAC name of 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole (CID 155333299) is 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole.

What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole?

The canonical SMILES for 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole is CC1(C)c2ccccc2-c2cccc(-c3c4cccc(-c5cccc6c7ccccc7p(-c7ccccc7)c56)c4cc4c(-c5cccc6c7ccccc7p(-c7ccccc7)c56)cccc34)c21.

What is the InChIKey of 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole?

The InChIKey is AZOBVGGLXLXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44P2/c1-65(2)58-37-12-9-24-45(58)50-31-17-36-55(62(50)65)61-48-29-15-27-43(51-32-18-34-53-46-25-10-13-38-59(46)66(63(51)53)41-20-5-3-6-21-41)56(48)40-57-44(28-16-30-49(57)61)52-33-19-35-54-47-26-11-14-39-60(47)67(64(52)54)42-22-7-4-8-23-42/h3-40H,1-2H3.

What are the key properties of 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole?

4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole has a molecular weight of 887.02 g/mol, XLogP of 19.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(9,9-dimethylfluoren-1-yl)-8-(5-phenylbenzo[b]phosphindol-4-yl)anthracen-1-yl]-5-phenylbenzo[b]phosphindole is sourced from PubChem (CID 155333299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).