9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole

C45H31N5 — CID 131983152

About 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole

9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole (PubChem CID 131983152) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole
• PubChem CID: 131983152
• Molecular Formula: C45H31N5
• Molecular Weight: 641.78 g/mol
• Exact Mass: 641.26
• IUPAC Name: 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole
• SMILES: c1ccc(N2c3ncc(-c4ccc5ccccc5c4)cc3NC2c2cc(-c3cccnc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C45H31N5/c1-2-14-37(15-3-1)50-44(48-41-27-36(29-47-45(41)50)32-21-20-30-11-4-5-12-31(30)23-32)35-24-34(33-13-10-22-46-28-33)25-38(26-35)49-42-18-8-6-16-39(42)40-17-7-9-19-43(40)49/h1-29,44,48H
• InChIKey: NQPPQBQCZAAHMQ-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.78
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole?

The IUPAC name of 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole (CID 131983152) is 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole.

What is the SMILES notation for 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole?

The canonical SMILES for 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole is c1ccc(N2c3ncc(-c4ccc5ccccc5c4)cc3NC2c2cc(-c3cccnc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole?

The InChIKey is NQPPQBQCZAAHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-2-14-37(15-3-1)50-44(48-41-27-36(29-47-45(41)50)32-21-20-30-11-4-5-12-31(30)23-32)35-24-34(33-13-10-22-46-28-33)25-38(26-35)49-42-18-8-6-16-39(42)40-17-7-9-19-43(40)49/h1-29,44,48H.

What are the key properties of 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole?

9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole has a molecular weight of 641.78 g/mol, XLogP of 11.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(6-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole is sourced from PubChem (CID 131983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).