3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole

C44H28N2 — CID 118315256

About 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole

3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole (PubChem CID 118315256) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole.

Molecular Properties

• Compound Name: 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
• PubChem CID: 118315256
• Molecular Formula: C44H28N2
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.23
• IUPAC Name: 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
• SMILES: c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4ccc32)cc1
• InChI: InChI=1S/C44H28N2/c1-2-12-31(13-3-1)45-26-25-39-41(45)23-24-43-44(39)38-19-8-9-20-42(38)46(43)32-14-10-11-29(27-32)30-21-22-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)28-30/h1-28H
• InChIKey: IPPZNUGHWVKCTB-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole?

The IUPAC name of 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole (CID 118315256) is 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole.

What is the SMILES notation for 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole?

The canonical SMILES for 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole is c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4ccc32)cc1.

What is the InChIKey of 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole?

The InChIKey is IPPZNUGHWVKCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-12-31(13-3-1)45-26-25-39-41(45)23-24-43-44(39)38-19-8-9-20-42(38)46(43)32-14-10-11-29(27-32)30-21-22-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)28-30/h1-28H.

What are the key properties of 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole?

3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole has a molecular weight of 584.72 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 118315256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).