11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene

C100H91BN4 — CID 171425636

About 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene

11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene (PubChem CID 171425636) has the molecular formula C100H91BN4 and a molecular weight of 1359.67 g/mol. Its IUPAC name is 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene
• PubChem CID: 171425636
• Molecular Formula: C100H91BN4
• Molecular Weight: 1359.67 g/mol
• Exact Mass: 1358.73
• IUPAC Name: 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)N(c2ccc(-c4ccc5c(c4)C(C)(C)CC5(C)C)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-n3c5ccccc5c5cc(-c6ccccc6)ccc53)cc2N4c2ccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C100H91BN4/c1-95(2,3)70-50-69(51-71(56-70)96(4,5)6)68-38-47-84-90(55-68)102(72-40-32-63(33-41-72)66-36-45-80-82(53-66)99(11,12)60-97(80,7)8)92-58-75(105-86-29-21-18-26-76(86)77-27-19-22-30-87(77)105)59-93-94(92)101(84)85-48-44-74(104-88-31-23-20-28-78(88)79-52-65(39-49-89(79)104)62-24-16-15-17-25-62)57-91(85)103(93)73-42-34-64(35-43-73)67-37-46-81-83(54-67)100(13,14)61-98(81,9)10/h15-59H,60-61H2,1-14H3
• InChIKey: FEZLBMZJEXIHND-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1359.67
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene?

The IUPAC name of 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene (CID 171425636) is 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene.

What is the SMILES notation for 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene?

The canonical SMILES for 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene is CC(C)(C)c1cc(-c2ccc3c(c2)N(c2ccc(-c4ccc5c(c4)C(C)(C)CC5(C)C)cc2)c2cc(-n4c5ccccc5c5ccccc54)cc4c2B3c2ccc(-n3c5ccccc5c5cc(-c6ccccc6)ccc53)cc2N4c2ccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2)cc(C(C)(C)C)c1.

What is the InChIKey of 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene?

The InChIKey is FEZLBMZJEXIHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H91BN4/c1-95(2,3)70-50-69(51-71(56-70)96(4,5)6)68-38-47-84-90(55-68)102(72-40-32-63(33-41-72)66-36-45-80-82(53-66)99(11,12)60-97(80,7)8)92-58-75(105-86-29-21-18-26-76(86)77-27-19-22-30-87(77)105)59-93-94(92)101(84)85-48-44-74(104-88-31-23-20-28-78(88)79-52-65(39-49-89(79)104)62-24-16-15-17-25-62)57-91(85)103(93)73-42-34-64(35-43-73)67-37-46-81-83(54-67)100(13,14)61-98(81,9)10/h15-59H,60-61H2,1-14H3.

What are the key properties of 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene?

11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene has a molecular weight of 1359.67 g/mol, XLogP of 25.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-8,14-bis[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]-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-nonaene is sourced from PubChem (CID 171425636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).