6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C41H26N3OP — CID 122486930

About 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486930) has the molecular formula C41H26N3OP and a molecular weight of 607.65 g/mol. Its IUPAC name is 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486930
• Molecular Formula: C41H26N3OP
• Molecular Weight: 607.65 g/mol
• Exact Mass: 607.18
• IUPAC Name: 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• SMILES: O=P1(c2ccccc2)c2c(cccc2-n2c3ccccc3c3c4ccccc4ccc32)-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/C41H26N3OP/c45-46(29-16-5-2-6-17-29)37-24-11-20-32-39(37)44(41(42-32)28-14-3-1-4-15-28)36-23-12-22-35(40(36)46)43-33-21-10-9-19-31(33)38-30-18-8-7-13-27(30)25-26-34(38)43/h1-26H
• InChIKey: XWBXUZZVRJEDPT-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 39.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.65
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (CID 122486930) is 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is O=P1(c2ccccc2)c2c(cccc2-n2c3ccccc3c3c4ccccc4ccc32)-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is XWBXUZZVRJEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N3OP/c45-46(29-16-5-2-6-17-29)37-24-11-20-32-39(37)44(41(42-32)28-14-3-1-4-15-28)36-23-12-22-35(40(36)46)43-33-21-10-9-19-31(33)38-30-18-8-7-13-27(30)25-26-34(38)43/h1-26H.

What are the key properties of 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 607.65 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzo[c]carbazol-7-yl-8,15-diphenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).