6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole

C53H36N2 — CID 145243493

About 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole

6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole (PubChem CID 145243493) has the molecular formula C53H36N2 and a molecular weight of 700.88 g/mol. Its IUPAC name is 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole
• PubChem CID: 145243493
• Molecular Formula: C53H36N2
• Molecular Weight: 700.88 g/mol
• Exact Mass: 700.29
• IUPAC Name: 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole
• SMILES: C(=C1Cc2ccccc2-c2ccccc21)c1cccc(-n2c3ccccc3c3c4c(ccc32)C(c2ccccc2)(c2ccccc2)C(c2ccccc2)=N4)c1
• InChI: InChI=1S/C53H36N2/c1-4-18-37(19-5-1)52-53(40-21-6-2-7-22-40,41-23-8-3-9-24-41)47-31-32-49-50(51(47)54-52)46-29-14-15-30-48(46)55(49)42-25-16-17-36(34-42)33-39-35-38-20-10-11-26-43(38)45-28-13-12-27-44(39)45/h1-34H,35H2
• InChIKey: HQNFYKALRJOITK-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 17.29 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.88
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole?

The IUPAC name of 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole (CID 145243493) is 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole.

What is the SMILES notation for 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole?

The canonical SMILES for 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole is C(=C1Cc2ccccc2-c2ccccc21)c1cccc(-n2c3ccccc3c3c4c(ccc32)C(c2ccccc2)(c2ccccc2)C(c2ccccc2)=N4)c1.

What is the InChIKey of 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole?

The InChIKey is HQNFYKALRJOITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-4-18-37(19-5-1)52-53(40-21-6-2-7-22-40,41-23-8-3-9-24-41)47-31-32-49-50(51(47)54-52)46-29-14-15-30-48(46)55(49)42-25-16-17-36(34-42)33-39-35-38-20-10-11-26-43(38)45-28-13-12-27-44(39)45/h1-34H,35H2.

What are the key properties of 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole?

6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole has a molecular weight of 700.88 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(10H-phenanthren-9-ylidenemethyl)phenyl]-2,3,3-triphenylpyrrolo[3,2-c]carbazole is sourced from PubChem (CID 145243493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).