4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene

C268H183B4N19 — CID 161008732

About 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene

4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene (PubChem CID 161008732) has the molecular formula C268H183B4N19 and a molecular weight of 3712.79 g/mol. Its IUPAC name is 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene.

Molecular Properties

• Compound Name: 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene
• PubChem CID: 161008732
• Molecular Formula: C268H183B4N19
• Molecular Weight: 3712.79 g/mol
• Exact Mass: 3710.53
• IUPAC Name: 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-n5c6ccccc6c6ccccc65)cc2B4c2cc(C)ccc2N3c2ccc(C)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc2B4c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-n5c6ccccc6c6ccccc65)cc2B4c2cc(-n4c5ccccc5c5ccccc54)ccc2N3c2ccccc2)cc1.c1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1
• InChI: InChI=1S/C78H52BN5.C66H42BN5.C66H44BN5.C58H45BN4/c1-5-21-57(22-6-1)80(58-23-7-2-8-24-58)63-51-76-78-77(52-63)84(60-27-11-4-12-28-60)75-48-42-56(54-39-45-62(46-40-54)82-72-35-19-15-31-66(72)67-32-16-20-36-73(67)82)50-69(75)79(78)68-49-55(41-47-74(68)83(76)59-25-9-3-10-26-59)53-37-43-61(44-38-53)81-70-33-17-13-29-64(70)65-30-14-18-34-71(65)81;1-3-19-43(20-4-1)68-62-37-35-45(70-56-29-13-7-23-48(56)49-24-8-14-30-57(49)70)39-54(62)67-55-40-46(71-58-31-15-9-25-50(58)51-26-10-16-32-59(51)71)36-38-63(55)69(44-21-5-2-6-22-44)65-42-47(41-64(68)66(65)67)72-60-33-17-11-27-52(60)53-28-12-18-34-61(53)72;1-5-21-45(22-6-1)68(46-23-7-2-8-24-46)51-43-64-66-65(44-51)70(48-27-11-4-12-28-48)63-40-38-50(72-60-35-19-15-31-54(60)55-32-16-20-36-61(55)72)42-57(63)67(66)56-41-49(37-39-62(56)69(64)47-25-9-3-10-26-47)71-58-33-17-13-29-52(58)53-30-14-18-34-59(53)71;1-38-18-25-43(26-19-38)60(44-27-20-39(2)21-28-44)47-36-56-58-57(37-47)62(45-29-22-40(3)23-30-45)54-32-24-41(4)34-50(54)59(58)51-35-46(31-33-55(51)61(56)42-12-6-5-7-13-42)63-52-16-10-8-14-48(52)49-15-9-11-17-53(49)63/h1-52H;1-42H;1-44H;5-37H,1-4H3
• InChIKey: TWVSRCTZPLEFME-UHFFFAOYSA-N
• XLogP: 62.83
• TPSA: 75.08 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3712.79
LogP ≤ 5	62.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene?

The IUPAC name of 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene (CID 161008732) is 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene.

What is the SMILES notation for 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene?

The canonical SMILES for 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene is Cc1ccc(N(c2ccc(C)cc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-n5c6ccccc6c6ccccc65)cc2B4c2cc(C)ccc2N3c2ccc(C)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc2B4c2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2N3c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccc(-n5c6ccccc6c6ccccc65)cc2B4c2cc(-n4c5ccccc5c5ccccc54)ccc2N3c2ccccc2)cc1.c1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3B3c4cc(-n5c6ccccc6c6ccccc65)ccc4N(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc2c43)cc1.

What is the InChIKey of 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene?

The InChIKey is TWVSRCTZPLEFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52BN5.C66H42BN5.C66H44BN5.C58H45BN4/c1-5-21-57(22-6-1)80(58-23-7-2-8-24-58)63-51-76-78-77(52-63)84(60-27-11-4-12-28-60)75-48-42-56(54-39-45-62(46-40-54)82-72-35-19-15-31-66(72)67-32-16-20-36-73(67)82)50-69(75)79(78)68-49-55(41-47-74(68)83(76)59-25-9-3-10-26-59)53-37-43-61(44-38-53)81-70-33-17-13-29-64(70)65-30-14-18-34-71(65)81;1-3-19-43(20-4-1)68-62-37-35-45(70-56-29-13-7-23-48(56)49-24-8-14-30-57(49)70)39-54(62)67-55-40-46(71-58-31-15-9-25-50(58)51-26-10-16-32-59(51)71)36-38-63(55)69(44-21-5-2-6-22-44)65-42-47(41-64(68)66(65)67)72-60-33-17-11-27-52(60)53-28-12-18-34-61(53)72;1-5-21-45(22-6-1)68(46-23-7-2-8-24-46)51-43-64-66-65(44-51)70(48-27-11-4-12-28-48)63-40-38-50(72-60-35-19-15-31-54(60)55-32-16-20-36-61(55)72)42-57(63)67(66)56-41-49(37-39-62(56)69(64)47-25-9-3-10-26-47)71-58-33-17-13-29-52(58)53-30-14-18-34-59(53)71;1-38-18-25-43(26-19-38)60(44-27-20-39(2)21-28-44)47-36-56-58-57(37-47)62(45-29-22-40(3)23-30-45)54-32-24-41(4)34-50(54)59(58)51-35-46(31-33-55(51)61(56)42-12-6-5-7-13-42)63-52-16-10-8-14-48(52)49-15-9-11-17-53(49)63/h1-52H;1-42H;1-44H;5-37H,1-4H3.

What are the key properties of 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene?

4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene has a molecular weight of 3712.79 g/mol, XLogP of 62.83, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-bis(4-carbazol-9-ylphenyl)-N,N,8,14-tetraphenyl-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-11-amine;4-carbazol-9-yl-18-methyl-N,N,14-tris(4-methylphenyl)-8-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-nonaen-11-amine;4,18-di(carbazol-9-yl)-N,N,8,14-tetraphenyl-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-11-amine;4,11,18-tri(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(20),16,18-nonaene is sourced from PubChem (CID 161008732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).