2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole

C63H55N5O — CID 162704571

About 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole

2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole (PubChem CID 162704571) has the molecular formula C63H55N5O and a molecular weight of 898.17 g/mol. Its IUPAC name is 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
• PubChem CID: 162704571
• Molecular Formula: C63H55N5O
• Molecular Weight: 898.17 g/mol
• Exact Mass: 897.44
• IUPAC Name: 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
• SMILES: CC1(C)CCCC(C)(C)C1(c1ccccc1)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cccnc65)c4)cc32)c1
• InChI: InChI=1S/C63H55N5O/c1-61(2)36-19-37-62(3,4)63(61,46-24-12-7-13-25-46)47-35-39-64-58(40-47)68-55-31-15-14-28-53(55)54-34-33-50(42-57(54)68)69-49-27-16-26-48(41-49)66-43-67(56-32-18-38-65-60(56)66)59-51(44-20-8-5-9-21-44)29-17-30-52(59)45-22-10-6-11-23-45/h5-18,20-35,38-42H,19,36-37,43H2,1-4H3
• InChIKey: XHJGVRHLJINCES-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.17
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole (CID 162704571) is 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole is CC1(C)CCCC(C)(C)C1(c1ccccc1)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccccc7)cccc6-c6ccccc6)c6cccnc65)c4)cc32)c1.

What is the InChIKey of 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole?

The InChIKey is XHJGVRHLJINCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55N5O/c1-61(2)36-19-37-62(3,4)63(61,46-24-12-7-13-25-46)47-35-39-64-58(40-47)68-55-31-15-14-28-53(55)54-34-33-50(42-57(54)68)69-49-27-16-26-48(41-49)66-43-67(56-32-18-38-65-60(56)66)59-51(44-20-8-5-9-21-44)29-17-30-52(59)45-22-10-6-11-23-45/h5-18,20-35,38-42H,19,36-37,43H2,1-4H3.

What are the key properties of 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole?

2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole has a molecular weight of 898.17 g/mol, XLogP of 16.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(2,6-diphenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162704571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).