4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile

C154H100B3N13 — CID 158382021

About 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile

4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile (PubChem CID 158382021) has the molecular formula C154H100B3N13 and a molecular weight of 2165.02 g/mol. Its IUPAC name is 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile
• PubChem CID: 158382021
• Molecular Formula: C154H100B3N13
• Molecular Weight: 2165.02 g/mol
• Exact Mass: 2163.85
• IUPAC Name: 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)B2c4cc(-c5ccc(C#N)cc5)ccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)N3c2ccccc2)cc1.N#Cc1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccccc2)cc1.N#Cc1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)N3c2ccccc2)cc1
• InChI: InChI=1S/C56H36BN5.C49H31BN4.C49H33BN4/c58-37-39-21-25-41(26-22-39)43-29-31-52-50(33-43)57-51-34-44(42-27-23-40(38-59)24-28-42)30-32-53(51)62(48-19-11-4-12-20-48)55-36-49(35-54(56(55)57)61(52)47-17-9-3-10-18-47)60(45-13-5-1-6-14-45)46-15-7-2-8-16-46;51-32-33-23-25-34(26-24-33)35-27-28-46-42(29-35)50-41-19-9-12-22-45(41)52(36-13-3-1-4-14-36)47-30-38(31-48(49(47)50)53(46)37-15-5-2-6-16-37)54-43-20-10-7-17-39(43)40-18-8-11-21-44(40)54;51-34-35-25-27-36(28-26-35)37-29-30-46-44(31-37)50-43-23-13-14-24-45(43)53(40-19-9-3-10-20-40)47-32-42(33-48(49(47)50)54(46)41-21-11-4-12-22-41)52(38-15-5-1-6-16-38)39-17-7-2-8-18-39/h1-36H;1-31H;1-33H
• InChIKey: GVXJDOCMLSPCOR-UHFFFAOYSA-N
• XLogP: 33.50
• TPSA: 126.01 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2165.02
LogP ≤ 5	33.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile?

The IUPAC name of 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile (CID 158382021) is 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile.

What is the SMILES notation for 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile?

The canonical SMILES for 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)B2c4cc(-c5ccc(C#N)cc5)ccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)N3c2ccccc2)cc1.N#Cc1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(c42)N3c2ccccc2)cc1.N#Cc1ccc(-c2ccc3c(c2)B2c4ccccc4N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(c42)N3c2ccccc2)cc1.

What is the InChIKey of 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile?

The InChIKey is GVXJDOCMLSPCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36BN5.C49H31BN4.C49H33BN4/c58-37-39-21-25-41(26-22-39)43-29-31-52-50(33-43)57-51-34-44(42-27-23-40(38-59)24-28-42)30-32-53(51)62(48-19-11-4-12-20-48)55-36-49(35-54(56(55)57)61(52)47-17-9-3-10-18-47)60(45-13-5-1-6-14-45)46-15-7-2-8-16-46;51-32-33-23-25-34(26-24-33)35-27-28-46-42(29-35)50-41-19-9-12-22-45(41)52(36-13-3-1-4-14-36)47-30-38(31-48(49(47)50)53(46)37-15-5-2-6-16-37)54-43-20-10-7-17-39(43)40-18-8-11-21-44(40)54;51-34-35-25-27-36(28-26-35)37-29-30-46-44(31-37)50-43-23-13-14-24-45(43)53(40-19-9-3-10-20-40)47-32-42(33-48(49(47)50)54(46)41-21-11-4-12-22-41)52(38-15-5-1-6-16-38)39-17-7-2-8-18-39/h1-36H;1-31H;1-33H.

What are the key properties of 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile?

4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile has a molecular weight of 2165.02 g/mol, XLogP of 33.50, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(11-carbazol-9-yl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)benzonitrile;4-[18-(4-cyanophenyl)-8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl]benzonitrile;4-[8,14-diphenyl-11-(N-phenylanilino)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]benzonitrile is sourced from PubChem (CID 158382021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).