9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole

C53H37N3 — CID 118587725

About 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole

9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole (PubChem CID 118587725) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole
• PubChem CID: 118587725
• Molecular Formula: C53H37N3
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.30
• IUPAC Name: 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole
• SMILES: CC1C=Cc2c1c1cc(-c3ccc4c5ccccc5n(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c4c3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C53H37N3/c1-35-21-29-51-53(35)46-31-39(25-30-50(46)55(51)42-17-9-4-10-18-42)40-24-28-45-44-19-11-12-20-49(44)56(52(45)34-40)43-26-22-36(23-27-43)41-32-47(37-13-5-2-6-14-37)54-48(33-41)38-15-7-3-8-16-38/h2-35H,1H3
• InChIKey: UPHRCPSELCNZRJ-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole?

The IUPAC name of 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole (CID 118587725) is 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole.

What is the SMILES notation for 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole?

The canonical SMILES for 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole is CC1C=Cc2c1c1cc(-c3ccc4c5ccccc5n(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c4c3)ccc1n2-c1ccccc1.

What is the InChIKey of 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole?

The InChIKey is UPHRCPSELCNZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-35-21-29-51-53(35)46-31-39(25-30-50(46)55(51)42-17-9-4-10-18-42)40-24-28-45-44-19-11-12-20-49(44)56(52(45)34-40)43-26-22-36(23-27-43)41-32-47(37-13-5-2-6-14-37)54-48(33-41)38-15-7-3-8-16-38/h2-35H,1H3.

What are the key properties of 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole?

9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole has a molecular weight of 715.90 g/mol, XLogP of 13.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2-(1-methyl-4-phenyl-1H-cyclopenta[b]indol-7-yl)carbazole is sourced from PubChem (CID 118587725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).