3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole

C47H31N5O2 — CID 144961499

About 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole

3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole (PubChem CID 144961499) has the molecular formula C47H31N5O2 and a molecular weight of 697.80 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
• PubChem CID: 144961499
• Molecular Formula: C47H31N5O2
• Molecular Weight: 697.80 g/mol
• Exact Mass: 697.25
• IUPAC Name: 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole
• SMILES: On1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccncc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
• InChI: InChI=1S/C24H16N2O.C23H15N3O/c27-26-23-12-6-3-9-19(23)20-15-16(13-14-24(20)26)25-21-10-4-1-7-17(21)18-8-2-5-11-22(18)25;27-26-22-10-9-15(13-18(22)19-14-24-12-11-23(19)26)25-20-7-3-1-5-16(20)17-6-2-4-8-21(17)25/h1-15,27H;1-14,27H
• InChIKey: VJEWWHRLZXCHSG-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 73.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.80
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole?

The IUPAC name of 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole (CID 144961499) is 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole.

What is the SMILES notation for 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole?

The canonical SMILES for 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole is On1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.On1c2ccncc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.

What is the InChIKey of 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole?

The InChIKey is VJEWWHRLZXCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O.C23H15N3O/c27-26-23-12-6-3-9-19(23)20-15-16(13-14-24(20)26)25-21-10-4-1-7-17(21)18-8-2-5-11-22(18)25;27-26-22-10-9-15(13-18(22)19-14-24-12-11-23(19)26)25-20-7-3-1-5-16(20)17-6-2-4-8-21(17)25/h1-15,27H;1-14,27H.

What are the key properties of 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole?

3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole has a molecular weight of 697.80 g/mol, XLogP of 11.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-hydroxycarbazole;8-carbazol-9-yl-5-hydroxypyrido[4,3-b]indole is sourced from PubChem (CID 144961499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).