11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine

C77H76BN5 — CID 174266380

About 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine

11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine (PubChem CID 174266380) has the molecular formula C77H76BN5 and a molecular weight of 1082.30 g/mol. Its IUPAC name is 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine.

Molecular Properties

• Compound Name: 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine
• PubChem CID: 174266380
• Molecular Formula: C77H76BN5
• Molecular Weight: 1082.30 g/mol
• Exact Mass: 1081.62
• IUPAC Name: 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc4c2B3c2cc(C(C)(C)C)ccc2N4c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3c(c2)c2ccccc2n3C)cc1
• InChI: InChI=1S/C77H76BN5/c1-49-19-30-56(31-20-49)80(57-32-21-50(2)22-33-57)61-40-41-65-69(47-61)82(60-38-27-53(28-39-60)75(5,6)7)70-44-55(77(11,12)13)45-71-73(70)78(65)66-43-54(76(8,9)10)29-42-68(66)83(71)62-46-64-63-17-15-16-18-67(63)79(14)74(64)72(48-62)81(58-34-23-51(3)24-35-58)59-36-25-52(4)26-37-59/h15-48H,1-14H3
• InChIKey: YVZKDCMNOLCKEP-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 17.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1082.30
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine?

The IUPAC name of 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine (CID 174266380) is 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine.

What is the SMILES notation for 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine?

The canonical SMILES for 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(C(C)(C)C)cc4c2B3c2cc(C(C)(C)C)ccc2N4c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)c3c(c2)c2ccccc2n3C)cc1.

What is the InChIKey of 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine?

The InChIKey is YVZKDCMNOLCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H76BN5/c1-49-19-30-56(31-20-49)80(57-32-21-50(2)22-33-57)61-40-41-65-69(47-61)82(60-38-27-53(28-39-60)75(5,6)7)70-44-55(77(11,12)13)45-71-73(70)78(65)66-43-54(76(8,9)10)29-42-68(66)83(71)62-46-64-63-17-15-16-18-67(63)79(14)74(64)72(48-62)81(58-34-23-51(3)24-35-58)59-36-25-52(4)26-37-59/h15-48H,1-14H3.

What are the key properties of 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine?

11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine has a molecular weight of 1082.30 g/mol, XLogP of 19.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[9-methyl-1-(4-methyl-N-(4-methylphenyl)anilino)carbazol-3-yl]-N,N-bis(4-methylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine is sourced from PubChem (CID 174266380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).