N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine

C61H45N2OP — CID 89035158

About N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine

N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine (PubChem CID 89035158) has the molecular formula C61H45N2OP and a molecular weight of 853.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine
• PubChem CID: 89035158
• Molecular Formula: C61H45N2OP
• Molecular Weight: 853.02 g/mol
• Exact Mass: 852.33
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cc(C5C=Cc6c(c7c8ccccc8ccc7n6-c6ccccc6)C5)ccc3P4(=O)c3ccccc3)cc21
• InChI: InChI=1S/C61H45N2OP/c1-61(2)54-25-15-14-24-49(54)50-31-29-46(39-55(50)61)62(43-17-6-3-7-18-43)45-30-35-59-52(38-45)51-36-42(28-34-58(51)65(59,64)47-21-10-5-11-22-47)41-27-32-56-53(37-41)60-48-23-13-12-16-40(48)26-33-57(60)63(56)44-19-8-4-9-20-44/h3-36,38-39,41H,37H2,1-2H3
• InChIKey: LOFCEEZPTVQZJT-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.02
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine (CID 89035158) is N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cc(C5C=Cc6c(c7c8ccccc8ccc7n6-c6ccccc6)C5)ccc3P4(=O)c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine?

The InChIKey is LOFCEEZPTVQZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N2OP/c1-61(2)54-25-15-14-24-49(54)50-31-29-46(39-55(50)61)62(43-17-6-3-7-18-43)45-30-35-59-52(38-45)51-36-42(28-34-58(51)65(59,64)47-21-10-5-11-22-47)41-27-32-56-53(37-41)60-48-23-13-12-16-40(48)26-33-57(60)63(56)44-19-8-4-9-20-44/h3-36,38-39,41H,37H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine?

N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine has a molecular weight of 853.02 g/mol, XLogP of 14.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine is sourced from PubChem (CID 89035158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).