5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole

C50H31N3 — CID 134168708

About 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole

5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole (PubChem CID 134168708) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
• PubChem CID: 134168708
• Molecular Formula: C50H31N3
• Molecular Weight: 673.82 g/mol
• Exact Mass: 673.25
• IUPAC Name: 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
• SMILES: c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(ccc4ccccc43)c2)c1
• InChI: InChI=1S/C50H31N3/c1-2-15-37-32(12-1)24-25-33-28-36(26-27-38(33)37)53-48-23-10-6-19-42(48)44-30-49-43(31-50(44)53)41-18-5-9-22-47(41)52(49)35-14-11-13-34(29-35)51-45-20-7-3-16-39(45)40-17-4-8-21-46(40)51/h1-31H
• InChIKey: OBWQXDPABHGDRG-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.82
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole?

The IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole (CID 134168708) is 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole.

What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole?

The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(ccc4ccccc43)c2)c1.

What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole?

The InChIKey is OBWQXDPABHGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-2-15-37-32(12-1)24-25-33-28-36(26-27-38(33)37)53-48-23-10-6-19-42(48)44-30-49-43(31-50(44)53)41-18-5-9-22-47(41)52(49)35-14-11-13-34(29-35)51-45-20-7-3-16-39(45)40-17-4-8-21-46(40)51/h1-31H.

What are the key properties of 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole?

5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole has a molecular weight of 673.82 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 134168708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).