11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene

C88H58BN5 — CID 155618131

About 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene

11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene (PubChem CID 155618131) has the molecular formula C88H58BN5 and a molecular weight of 1196.28 g/mol. Its IUPAC name is 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene
• PubChem CID: 155618131
• Molecular Formula: C88H58BN5
• Molecular Weight: 1196.28 g/mol
• Exact Mass: 1195.48
• IUPAC Name: 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5n(-c5cc6c7c(c5)N(c5ccccc5)c5ccc(-c8ccncc8)cc5B7c5cc(-c7ccncc7)ccc5N6c5ccccc5)c4c3)c2)cc1
• InChI: InChI=1S/C88H58BN5/c1-7-19-59(20-8-1)69-47-70(60-21-9-2-10-22-60)50-73(49-69)67-31-35-78-79-36-32-68(74-51-71(61-23-11-3-12-24-61)48-72(52-74)62-25-13-4-14-26-62)56-85(79)94(84(78)55-67)77-57-86-88-87(58-77)93(76-29-17-6-18-30-76)83-38-34-66(64-41-45-91-46-42-64)54-81(83)89(88)80-53-65(63-39-43-90-44-40-63)33-37-82(80)92(86)75-27-15-5-16-28-75/h1-58H
• InChIKey: UQMNMPLLBYEVKE-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.28
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene?

The IUPAC name of 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene (CID 155618131) is 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene.

What is the SMILES notation for 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene?

The canonical SMILES for 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5n(-c5cc6c7c(c5)N(c5ccccc5)c5ccc(-c8ccncc8)cc5B7c5cc(-c7ccncc7)ccc5N6c5ccccc5)c4c3)c2)cc1.

What is the InChIKey of 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene?

The InChIKey is UQMNMPLLBYEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58BN5/c1-7-19-59(20-8-1)69-47-70(60-21-9-2-10-22-60)50-73(49-69)67-31-35-78-79-36-32-68(74-51-71(61-23-11-3-12-24-61)48-72(52-74)62-25-13-4-14-26-62)56-85(79)94(84(78)55-67)77-57-86-88-87(58-77)93(76-29-17-6-18-30-76)83-38-34-66(64-41-45-91-46-42-64)54-81(83)89(88)80-53-65(63-39-43-90-44-40-63)33-37-82(80)92(86)75-27-15-5-16-28-75/h1-58H.

What are the key properties of 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene?

11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene has a molecular weight of 1196.28 g/mol, XLogP of 20.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[2,7-bis(3,5-diphenylphenyl)carbazol-9-yl]-8,14-diphenyl-4,18-dipyridin-4-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(20),16,18-nonaene is sourced from PubChem (CID 155618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).