14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

C180H120B3FN10 — CID 164982819

About 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (PubChem CID 164982819) has the molecular formula C180H120B3FN10 and a molecular weight of 2474.44 g/mol. Its IUPAC name is 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

Molecular Properties

• Compound Name: 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• PubChem CID: 164982819
• Molecular Formula: C180H120B3FN10
• Molecular Weight: 2474.44 g/mol
• Exact Mass: 2473.00
• IUPAC Name: 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• SMILES: Fc1cccc2c1N(c1ccccc1)c1cccc3c1B2c1ccccc1N3c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2N2c3ccccc3B3c4c(-c5ccccc5)cccc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2N2c3ccccc3B3c4cc(N(c5ccccc5)c5ccccc5)ccc4N(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C66H45BN4.C60H40BN3.C54H35BFN3/c1-6-21-46(22-7-1)48-37-40-58-54(43-48)55-44-49(47-23-8-2-9-24-47)38-41-59(55)70(58)62-33-18-19-34-63(62)71-60-32-17-16-31-56(60)67-57-45-53(68(50-25-10-3-11-26-50)51-27-12-4-13-28-51)39-42-61(57)69(52-29-14-5-15-30-52)64-35-20-36-65(71)66(64)67;1-5-19-41(20-6-1)44-35-37-51-48(39-44)49-40-45(42-21-7-2-8-22-42)36-38-52(49)63(51)54-30-15-16-31-55(54)64-53-29-14-13-28-50(53)61-59-47(43-23-9-3-10-24-43)27-17-32-56(59)62(46-25-11-4-12-26-46)57-33-18-34-58(64)60(57)61;56-45-24-14-23-44-54(45)57(40-20-8-3-9-21-40)51-28-15-29-52-53(51)55(44)43-22-10-11-25-48(43)59(52)50-27-13-12-26-49(50)58-46-32-30-38(36-16-4-1-5-17-36)34-41(46)42-35-39(31-33-47(42)58)37-18-6-2-7-19-37/h1-45H;1-40H;1-35H
• InChIKey: FSSCDRSLZPNVBR-UHFFFAOYSA-N
• XLogP: 41.88
• TPSA: 37.47 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2474.44
LogP ≤ 5	41.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The IUPAC name of 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (CID 164982819) is 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

What is the SMILES notation for 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The canonical SMILES for 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is Fc1cccc2c1N(c1ccccc1)c1cccc3c1B2c1ccccc1N3c1ccccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2N2c3ccccc3B3c4c(-c5ccccc5)cccc4N(c4ccccc4)c4cccc2c43)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2N2c3ccccc3B3c4cc(N(c5ccccc5)c5ccccc5)ccc4N(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The InChIKey is FSSCDRSLZPNVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45BN4.C60H40BN3.C54H35BFN3/c1-6-21-46(22-7-1)48-37-40-58-54(43-48)55-44-49(47-23-8-2-9-24-47)38-41-59(55)70(58)62-33-18-19-34-63(62)71-60-32-17-16-31-56(60)67-57-45-53(68(50-25-10-3-11-26-50)51-27-12-4-13-28-51)39-42-61(57)69(52-29-14-5-15-30-52)64-35-20-36-65(71)66(64)67;1-5-19-41(20-6-1)44-35-37-51-48(39-44)49-40-45(42-21-7-2-8-22-42)36-38-52(49)63(51)54-30-15-16-31-55(54)64-53-29-14-13-28-50(53)61-59-47(43-23-9-3-10-24-43)27-17-32-56(59)62(46-25-11-4-12-26-46)57-33-18-34-58(64)60(57)61;56-45-24-14-23-44-54(45)57(40-20-8-3-9-21-40)51-28-15-29-52-53(51)55(44)43-22-10-11-25-48(43)59(52)50-27-13-12-26-49(50)58-46-32-30-38(36-16-4-1-5-17-36)34-41(46)42-35-39(31-33-47(42)58)37-18-6-2-7-19-37/h1-45H;1-40H;1-35H.

What are the key properties of 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine has a molecular weight of 2474.44 g/mol, XLogP of 41.88, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-3,8-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-fluoro-8-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14-[2-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N,8-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is sourced from PubChem (CID 164982819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).