11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene

C225H192B3N9 — CID 165108548

About 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene

11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene (PubChem CID 165108548) has the molecular formula C225H192B3N9 and a molecular weight of 3054.51 g/mol. Its IUPAC name is 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene.

Molecular Properties

• Compound Name: 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene
• PubChem CID: 165108548
• Molecular Formula: C225H192B3N9
• Molecular Weight: 3054.51 g/mol
• Exact Mass: 3052.56
• IUPAC Name: 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene
• SMILES: CC(C)(C)c1cc(N2c3cc(C(C)(C)C)ccc3B3c4ccccc4N(c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4cc(C(C)(C)C)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1cc2c3c(c1)N(c1cc(-c4ccccc4)cc(-c4ccccc4)c1)c1cc(-c4ccccc4)ccc1B3c1ccccc1N2c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1cc2c3c(c1)N(c1cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c1)c1cc(N(c4ccccc4)c4ccccc4)ccc1B3c1ccccc1N2c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C89H70BN5.C71H55BN2.C65H67BN2/c1-88(2,3)69-59-85-87-86(60-69)95(80-62-78(92(72-43-23-9-24-44-72)73-45-25-10-26-46-73)61-79(63-80)93(74-47-27-11-28-48-74)75-49-29-12-30-50-75)84-64-77(91(70-39-19-7-20-40-70)71-41-21-8-22-42-71)57-58-82(84)90(87)81-51-31-32-52-83(81)94(85)76-55-53-68(54-56-76)89(65-33-13-4-14-34-65,66-35-15-5-16-36-66)67-37-17-6-18-38-67;1-70(2,3)60-48-67-69-68(49-60)74(62-45-54(51-26-12-5-13-27-51)44-55(46-62)52-28-14-6-15-29-52)66-47-53(50-24-10-4-11-25-50)38-43-64(66)72(69)63-36-22-23-37-65(63)73(67)61-41-39-59(40-42-61)71(56-30-16-7-17-31-56,57-32-18-8-19-33-57)58-34-20-9-21-35-58;1-61(2,3)48-34-37-55-57(41-48)68(53-39-49(62(4,5)6)38-50(40-53)63(7,8)9)59-43-51(64(10,11)12)42-58-60(59)66(55)54-30-22-23-31-56(54)67(58)52-35-32-47(33-36-52)65(44-24-16-13-17-25-44,45-26-18-14-19-27-45)46-28-20-15-21-29-46/h4-64H,1-3H3;4-49H,1-3H3;13-43H,1-12H3
• InChIKey: ZOEDRLUGYSBOSO-UHFFFAOYSA-N
• XLogP: 53.65
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 30
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3054.51
LogP ≤ 5	53.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene?

The IUPAC name of 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene (CID 165108548) is 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene.

What is the SMILES notation for 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene?

The canonical SMILES for 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene is CC(C)(C)c1cc(N2c3cc(C(C)(C)C)ccc3B3c4ccccc4N(c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4cc(C(C)(C)C)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1cc2c3c(c1)N(c1cc(-c4ccccc4)cc(-c4ccccc4)c1)c1cc(-c4ccccc4)ccc1B3c1ccccc1N2c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1cc2c3c(c1)N(c1cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c1)c1cc(N(c4ccccc4)c4ccccc4)ccc1B3c1ccccc1N2c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene?

The InChIKey is ZOEDRLUGYSBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H70BN5.C71H55BN2.C65H67BN2/c1-88(2,3)69-59-85-87-86(60-69)95(80-62-78(92(72-43-23-9-24-44-72)73-45-25-10-26-46-73)61-79(63-80)93(74-47-27-11-28-48-74)75-49-29-12-30-50-75)84-64-77(91(70-39-19-7-20-40-70)71-41-21-8-22-42-71)57-58-82(84)90(87)81-51-31-32-52-83(81)94(85)76-55-53-68(54-56-76)89(65-33-13-4-14-34-65,66-35-15-5-16-36-66)67-37-17-6-18-38-67;1-70(2,3)60-48-67-69-68(49-60)74(62-45-54(51-26-12-5-13-27-51)44-55(46-62)52-28-14-6-15-29-52)66-47-53(50-24-10-4-11-25-50)38-43-64(66)72(69)63-36-22-23-37-65(63)73(67)61-41-39-59(40-42-61)71(56-30-16-7-17-31-56,57-32-18-8-19-33-57)58-34-20-9-21-35-58;1-61(2,3)48-34-37-55-57(41-48)68(53-39-49(62(4,5)6)38-50(40-53)63(7,8)9)59-43-51(64(10,11)12)42-58-60(59)66(55)54-30-22-23-31-56(54)67(58)52-35-32-47(33-36-52)65(44-24-16-13-17-25-44,45-26-18-14-19-27-45)46-28-20-15-21-29-46/h4-64H,1-3H3;4-49H,1-3H3;13-43H,1-12H3.

What are the key properties of 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene?

11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene has a molecular weight of 3054.51 g/mol, XLogP of 53.65, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-8-(3,5-diphenylphenyl)-5-phenyl-14-(4-tritylphenyl)-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-nonaene;5-[11-tert-butyl-5-(N-phenylanilino)-14-(4-tritylphenyl)-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-8-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;5,11-ditert-butyl-8-(3,5-ditert-butylphenyl)-14-(4-tritylphenyl)-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-nonaene is sourced from PubChem (CID 165108548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).