11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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

C88H64BN5 — CID 174136781

About 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 174136781) has the molecular formula C88H64BN5 and a molecular weight of 1202.33 g/mol. Its IUPAC name is 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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: 174136781
• Molecular Formula: C88H64BN5
• Molecular Weight: 1202.33 g/mol
• Exact Mass: 1201.53
• IUPAC Name: 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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: CC(C)(C)c1cc2c3c(c1)N(c1cc(-c4ccccc4)cc(-c4ccccc4)c1)c1cc(-n4c5ccccc5c5ccccc54)ccc1B3c1ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1N2c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C88H64BN5/c1-88(2,3)65-55-85-87-86(56-65)94(72-53-63(60-27-10-5-11-28-60)51-64(54-72)61-29-12-6-13-30-61)84-58-71(92-81-41-22-18-37-75(81)76-38-19-23-42-82(76)92)48-50-78(84)89(87)77-49-47-70(57-83(77)93(85)69-34-24-31-62(52-69)59-25-8-4-9-26-59)90(66-32-14-7-15-33-66)67-43-45-68(46-44-67)91-79-39-20-16-35-73(79)74-36-17-21-40-80(74)91/h4-58H,1-3H3
• InChIKey: HYODEWKEWOJCEI-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1202.33
LogP ≤ 5	21.73
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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 174136781) is 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 CC(C)(C)c1cc2c3c(c1)N(c1cc(-c4ccccc4)cc(-c4ccccc4)c1)c1cc(-n4c5ccccc5c5ccccc54)ccc1B3c1ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1N2c1cccc(-c2ccccc2)c1.

What is the InChIKey of 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 HYODEWKEWOJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64BN5/c1-88(2,3)65-55-85-87-86(56-65)94(72-53-63(60-27-10-5-11-28-60)51-64(54-72)61-29-12-6-13-30-61)84-58-71(92-81-41-22-18-37-75(81)76-38-19-23-42-82(76)92)48-50-78(84)89(87)77-49-47-70(57-83(77)93(85)69-34-24-31-62(52-69)59-25-8-4-9-26-59)90(66-32-14-7-15-33-66)67-43-45-68(46-44-67)91-79-39-20-16-35-73(79)74-36-17-21-40-80(74)91/h4-58H,1-3H3.

What are the key properties of 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 1202.33 g/mol, XLogP of 21.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-17-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-N-phenyl-8-(3-phenylphenyl)-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 174136781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).