11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene

C43H27BN4O — CID 156627447

About 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene

11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene (PubChem CID 156627447) has the molecular formula C43H27BN4O and a molecular weight of 626.53 g/mol. Its IUPAC name is 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene
• PubChem CID: 156627447
• Molecular Formula: C43H27BN4O
• Molecular Weight: 626.53 g/mol
• Exact Mass: 626.23
• IUPAC Name: 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene
• SMILES: c1ccc(-c2ccccc2N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3ccccc3O4)n3c2nc2ccccc23)cc1
• InChI: InChI=1S/C43H27BN4O/c1-2-14-28(15-3-1)30-16-4-9-21-35(30)47-39-26-29(46-36-22-10-5-17-31(36)32-18-6-11-23-37(32)46)27-41-42(39)44(33-19-7-13-25-40(33)49-41)48-38-24-12-8-20-34(38)45-43(47)48/h1-27H
• InChIKey: FTGPIIXAWZKJAR-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.53
LogP ≤ 5	9.34
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-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene?

The IUPAC name of 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene (CID 156627447) is 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene.

What is the SMILES notation for 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene?

The canonical SMILES for 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene is c1ccc(-c2ccccc2N2c3cc(-n4c5ccccc5c5ccccc54)cc4c3B(c3ccccc3O4)n3c2nc2ccccc23)cc1.

What is the InChIKey of 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene?

The InChIKey is FTGPIIXAWZKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27BN4O/c1-2-14-28(15-3-1)30-16-4-9-21-35(30)47-39-26-29(46-36-22-10-5-17-31(36)32-18-6-11-23-37(32)46)27-41-42(39)44(33-19-7-13-25-40(33)49-41)48-38-24-12-8-20-34(38)45-43(47)48/h1-27H.

What are the key properties of 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene?

11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene has a molecular weight of 626.53 g/mol, XLogP of 9.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-14-(2-phenylphenyl)-8-oxa-14,16,23-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-2,4,6,9,11,13(24),15,17,19,21-decaene is sourced from PubChem (CID 156627447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).