9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine

C82H56BN7 — CID 158360800

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine (PubChem CID 158360800) has the molecular formula C82H56BN7 and a molecular weight of 1150.21 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
• PubChem CID: 158360800
• Molecular Formula: C82H56BN7
• Molecular Weight: 1150.21 g/mol
• Exact Mass: 1149.47
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine
• SMILES: Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1c(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C82H56BN7/c1-55-47-49-72-68(51-55)69-54-65(87(61-32-11-4-12-33-61)62-34-13-5-14-35-62)48-50-73(69)90(72)79-66(39-23-40-67(79)82-85-80(56-25-7-2-8-26-56)84-81(86-82)57-27-9-3-10-28-57)60-31-21-29-58(52-60)59-30-22-38-64(53-59)89-75-44-20-18-42-71(75)83-70-41-17-19-43-74(70)88(63-36-15-6-16-37-63)76-45-24-46-77(89)78(76)83/h2-54H,1H3
• InChIKey: BRHLDWWFLDPIDS-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 53.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.21
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine (CID 158360800) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine is Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1c(-c2cccc(-c3cccc(N4c5ccccc5B5c6ccccc6N(c6ccccc6)c6cccc4c65)c3)c2)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?

The InChIKey is BRHLDWWFLDPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56BN7/c1-55-47-49-72-68(51-55)69-54-65(87(61-32-11-4-12-33-61)62-34-13-5-14-35-62)48-50-73(69)90(72)79-66(39-23-40-67(79)82-85-80(56-25-7-2-8-26-56)84-81(86-82)57-27-9-3-10-28-57)60-31-21-29-58(52-60)59-30-22-38-64(53-59)89-75-44-20-18-42-71(75)83-70-41-17-19-43-74(70)88(63-36-15-6-16-37-63)76-45-24-46-77(89)78(76)83/h2-54H,1H3.

What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine?

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine has a molecular weight of 1150.21 g/mol, XLogP of 19.16, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[3-(14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]phenyl]phenyl]-6-methyl-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 158360800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).