6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

C79H60N5OP — CID 134317473

About 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine

6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (PubChem CID 134317473) has the molecular formula C79H60N5OP and a molecular weight of 1126.36 g/mol. Its IUPAC name is 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• PubChem CID: 134317473
• Molecular Formula: C79H60N5OP
• Molecular Weight: 1126.36 g/mol
• Exact Mass: 1125.45
• IUPAC Name: 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
• SMILES: Cc1ccc(N2c3cccc4c3P3(=O)c5c2cccc5N(c2ccc5c(c2)-c2ccc(N(c6ccccc6)c6ccccc6)cc2C5(C)C)c2cccc(c23)N4c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C3(C)C)cc1
• InChI: InChI=1S/C79H60N5OP/c1-51-35-37-56(38-36-51)82-69-29-18-31-71-75(69)86(85)76-70(82)30-19-32-72(76)84(59-42-46-67-64(49-59)63-47-57(40-44-66(63)78(67,2)3)80(52-21-10-6-11-22-52)53-23-12-7-13-24-53)74-34-20-33-73(77(74)86)83(71)58-41-45-65-62(48-58)61-43-39-60(50-68(61)79(65,4)5)81(54-25-14-8-15-26-54)55-27-16-9-17-28-55/h6-50H,1-5H3
• InChIKey: SVSMATRDOMGALE-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 33.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1126.36
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The IUPAC name of 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine (CID 134317473) is 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is Cc1ccc(N2c3cccc4c3P3(=O)c5c2cccc5N(c2ccc5c(c2)-c2ccc(N(c6ccccc6)c6ccccc6)cc2C5(C)C)c2cccc(c23)N4c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C3(C)C)cc1.

What is the InChIKey of 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

The InChIKey is SVSMATRDOMGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N5OP/c1-51-35-37-56(38-36-51)82-69-29-18-31-71-75(69)86(85)76-70(82)30-19-32-72(76)84(59-42-46-67-64(49-59)63-47-57(40-44-66(63)78(67,2)3)80(52-21-10-6-11-22-52)53-23-12-7-13-24-53)74-34-20-33-73(77(74)86)83(71)58-41-45-65-62(48-58)61-43-39-60(50-68(61)79(65,4)5)81(54-25-14-8-15-26-54)55-27-16-9-17-28-55/h6-50H,1-5H3.

What are the key properties of 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine?

6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine has a molecular weight of 1126.36 g/mol, XLogP of 20.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[14-[9,9-dimethyl-6-(N-phenylanilino)fluoren-3-yl]-22-(4-methylphenyl)-1-oxo-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-8-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 134317473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).