9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole

C54H37N5 — CID 131983164

About 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole (PubChem CID 131983164) has the molecular formula C54H37N5 and a molecular weight of 755.93 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole
• PubChem CID: 131983164
• Molecular Formula: C54H37N5
• Molecular Weight: 755.93 g/mol
• Exact Mass: 755.30
• IUPAC Name: 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccnc3c2NC(c2ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc2)N3c2ccccc2)cc1
• InChI: InChI=1S/C54H37N5/c1-3-15-37(16-4-1)43-31-32-55-54-52(43)56-53(59(54)40-17-5-2-6-18-40)38-29-27-36(28-30-38)39-33-41(57-48-23-11-7-19-44(48)45-20-8-12-24-49(45)57)35-42(34-39)58-50-25-13-9-21-46(50)47-22-10-14-26-51(47)58/h1-35,53,56H
• InChIKey: ZRPHJSWVESSHIP-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 38.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.93
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole (CID 131983164) is 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole is c1ccc(-c2ccnc3c2NC(c2ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc2)N3c2ccccc2)cc1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole?

The InChIKey is ZRPHJSWVESSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N5/c1-3-15-37(16-4-1)43-31-32-55-54-52(43)56-53(59(54)40-17-5-2-6-18-40)38-29-27-36(28-30-38)39-33-41(57-48-23-11-7-19-44(48)45-20-8-12-24-49(45)57)35-42(34-39)58-50-25-13-9-21-46(50)47-22-10-14-26-51(47)58/h1-35,53,56H.

What are the key properties of 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole?

9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 755.93 g/mol, XLogP of 13.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 131983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).