3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole

C50H32N2 — CID 118314952

About 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole

3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole (PubChem CID 118314952) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole.

Molecular Properties

• Compound Name: 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
• PubChem CID: 118314952
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
• SMILES: c1ccc(-c2ccc3c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c(ccn8-c8ccccc8)c76)cc5)cc4c4ccccc4c3c2)cc1
• InChI: InChI=1S/C50H32N2/c1-3-11-33(12-4-1)35-21-25-41-42-26-22-36(32-47(42)40-16-8-7-15-39(40)46(41)31-35)34-19-23-38(24-20-34)52-49-18-10-9-17-43(49)44-27-28-48-45(50(44)52)29-30-51(48)37-13-5-2-6-14-37/h1-32H
• InChIKey: NDEVYDSCDHOPEW-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	13.52
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-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole?

The IUPAC name of 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole (CID 118314952) is 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole.

What is the SMILES notation for 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole?

The canonical SMILES for 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole is c1ccc(-c2ccc3c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c(ccn8-c8ccccc8)c76)cc5)cc4c4ccccc4c3c2)cc1.

What is the InChIKey of 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole?

The InChIKey is NDEVYDSCDHOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-11-33(12-4-1)35-21-25-41-42-26-22-36(32-47(42)40-16-8-7-15-39(40)46(41)31-35)34-19-23-38(24-20-34)52-49-18-10-9-17-43(49)44-27-28-48-45(50(44)52)29-30-51(48)37-13-5-2-6-14-37/h1-32H.

What are the key properties of 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole?

3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118314952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).