3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile

C209H146B3N9 — CID 160721436

About 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile

3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile (PubChem CID 160721436) has the molecular formula C209H146B3N9 and a molecular weight of 2815.97 g/mol. Its IUPAC name is 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile.

Molecular Properties

• Compound Name: 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile
• PubChem CID: 160721436
• Molecular Formula: C209H146B3N9
• Molecular Weight: 2815.97 g/mol
• Exact Mass: 2814.20
• IUPAC Name: 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile
• SMILES: CC(C)(c1ccccc1)c1cc(-c2cc3c4c(c2)N(c2ccccc2)c2ccc(C(C)(C)c5ccccc5)cc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3N(c3ccccc3)c3cc(-c4cc(C#N)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc(c31)N2c1ccccc1.N#Cc1cc(-c2cc3c4c(c2)N(c2ccccc2)c2cc(-n5c6ccccc6c6ccccc65)ccc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
• InChI: InChI=1S/C74H57BN2.C69H43BN4.C66H46BN3/c1-73(2,54-28-12-6-13-29-54)56-42-43-67-65(49-56)75-64-40-24-25-41-66(64)76(58-32-16-8-17-33-58)68-47-52(48-69(72(68)75)77(67)59-34-18-9-19-35-59)51-44-53(46-57(45-51)74(3,4)55-30-14-7-15-31-55)71-62-38-22-20-36-60(62)70(50-26-10-5-11-27-50)61-37-21-23-39-63(61)71;71-44-45-38-47(40-49(39-45)68-57-30-12-10-28-55(57)67(46-20-4-1-5-21-46)56-29-11-13-31-58(56)68)48-41-65-69-66(42-48)73(51-24-8-3-9-25-51)64-43-52(74-61-33-17-14-26-53(61)54-27-15-18-34-62(54)74)36-37-60(64)70(69)59-32-16-19-35-63(59)72(65)50-22-6-2-7-23-50;1-66(2,49-23-9-4-10-24-49)50-35-36-60-58(42-50)67-57-33-19-20-34-59(57)69(51-25-11-5-12-26-51)61-40-47(41-62(65(61)67)70(60)52-27-13-6-14-28-52)46-37-44(43-68)38-48(39-46)64-55-31-17-15-29-53(55)63(45-21-7-3-8-22-45)54-30-16-18-32-56(54)64/h5-49H,1-4H3;1-43H;3-42H,1-2H3
• InChIKey: RTDSZPVAWGPRHN-UHFFFAOYSA-N
• XLogP: 49.05
• TPSA: 71.95 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2815.97
LogP ≤ 5	49.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile?

The IUPAC name of 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile (CID 160721436) is 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile.

What is the SMILES notation for 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile?

The canonical SMILES for 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile is CC(C)(c1ccccc1)c1cc(-c2cc3c4c(c2)N(c2ccccc2)c2ccc(C(C)(C)c5ccccc5)cc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.CC(C)(c1ccccc1)c1ccc2c(c1)B1c3ccccc3N(c3ccccc3)c3cc(-c4cc(C#N)cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cc(c31)N2c1ccccc1.N#Cc1cc(-c2cc3c4c(c2)N(c2ccccc2)c2cc(-n5c6ccccc6c6ccccc65)ccc2B4c2ccccc2N3c2ccccc2)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.

What is the InChIKey of 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile?

The InChIKey is RTDSZPVAWGPRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57BN2.C69H43BN4.C66H46BN3/c1-73(2,54-28-12-6-13-29-54)56-42-43-67-65(49-56)75-64-40-24-25-41-66(64)76(58-32-16-8-17-33-58)68-47-52(48-69(72(68)75)77(67)59-34-18-9-19-35-59)51-44-53(46-57(45-51)74(3,4)55-30-14-7-15-31-55)71-62-38-22-20-36-60(62)70(50-26-10-5-11-27-50)61-37-21-23-39-63(61)71;71-44-45-38-47(40-49(39-45)68-57-30-12-10-28-55(57)67(46-20-4-1-5-21-46)56-29-11-13-31-58(56)68)48-41-65-69-66(42-48)73(51-24-8-3-9-25-51)64-43-52(74-61-33-17-14-26-53(61)54-27-15-18-34-62(54)74)36-37-60(64)70(69)59-32-16-19-35-63(59)72(65)50-22-6-2-7-23-50;1-66(2,49-23-9-4-10-24-49)50-35-36-60-58(42-50)67-57-33-19-20-34-59(57)69(51-25-11-5-12-26-51)61-40-47(41-62(65(61)67)70(60)52-27-13-6-14-28-52)46-37-44(43-68)38-48(39-46)64-55-31-17-15-29-53(55)63(45-21-7-3-8-22-45)54-30-16-18-32-56(54)64/h5-49H,1-4H3;1-43H;3-42H,1-2H3.

What are the key properties of 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile?

3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile has a molecular weight of 2815.97 g/mol, XLogP of 49.05, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-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-11-yl)-5-(10-phenylanthracen-9-yl)benzonitrile;8,14-diphenyl-11-[3-(10-phenylanthracen-9-yl)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-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;3-[8,14-diphenyl-4-(2-phenylpropan-2-yl)-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-11-yl]-5-(10-phenylanthracen-9-yl)benzonitrile is sourced from PubChem (CID 160721436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).