2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

C46H28N6 — CID 164779900

About 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline

2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (PubChem CID 164779900) has the molecular formula C46H28N6 and a molecular weight of 664.77 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.

Molecular Properties

• Compound Name: 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
• PubChem CID: 164779900
• Molecular Formula: C46H28N6
• Molecular Weight: 664.77 g/mol
• Exact Mass: 664.24
• IUPAC Name: 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
• SMILES: c1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6cccnc65)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4c3n2)cc1
• InChI: InChI=1S/C46H28N6/c1-2-11-29(12-3-1)38-27-23-30-22-26-37-43(42(30)48-38)49-44(50-46(37)52-41-19-9-6-15-35(41)36-16-10-28-47-45(36)52)31-20-24-32(25-21-31)51-39-17-7-4-13-33(39)34-14-5-8-18-40(34)51/h1-28H
• InChIKey: BKXLMBVMXPYAAL-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.77
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The IUPAC name of 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline (CID 164779900) is 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline.

What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is c1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6cccnc65)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4c3n2)cc1.

What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

The InChIKey is BKXLMBVMXPYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6/c1-2-11-29(12-3-1)38-27-23-30-22-26-37-43(42(30)48-38)49-44(50-46(37)52-41-19-9-6-15-35(41)36-16-10-28-47-45(36)52)31-20-24-32(25-21-31)51-39-17-7-4-13-33(39)34-14-5-8-18-40(34)51/h1-28H.

What are the key properties of 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline?

2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline has a molecular weight of 664.77 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 164779900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).