9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene

C39H34N4 — CID 144769363

About 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene

9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene (PubChem CID 144769363) has the molecular formula C39H34N4 and a molecular weight of 558.73 g/mol. Its IUPAC name is 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene.

Molecular Properties

• Compound Name: 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene
• PubChem CID: 144769363
• Molecular Formula: C39H34N4
• Molecular Weight: 558.73 g/mol
• Exact Mass: 558.28
• IUPAC Name: 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene
• SMILES: C1=CC(N2c3nccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3NC2c2ccccc2)=CCCC1.C=C
• InChI: InChI=1S/C37H30N4.C2H4/c1-2-7-15-28(14-6-1)41-36(27-12-4-3-5-13-27)39-35-30(24-25-38-37(35)41)26-20-22-29(23-21-26)40-33-18-10-8-16-31(33)32-17-9-11-19-34(32)40;1-2/h3-6,8-25,36,39H,1-2,7H2;1-2H2
• InChIKey: HVAYJAIDIALCPI-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.73
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene?

The IUPAC name of 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene (CID 144769363) is 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene.

What is the SMILES notation for 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene?

The canonical SMILES for 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene is C1=CC(N2c3nccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3NC2c2ccccc2)=CCCC1.C=C.

What is the InChIKey of 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene?

The InChIKey is HVAYJAIDIALCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4.C2H4/c1-2-7-15-28(14-6-1)41-36(27-12-4-3-5-13-27)39-35-30(24-25-38-37(35)41)26-20-22-29(23-21-26)40-33-18-10-8-16-31(33)32-17-9-11-19-34(32)40;1-2/h3-6,8-25,36,39H,1-2,7H2;1-2H2.

What are the key properties of 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene?

9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene has a molecular weight of 558.73 g/mol, XLogP of 10.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene is sourced from PubChem (CID 144769363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).