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

C64H56N4O — CID 162704513

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

2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole (PubChem CID 162704513) has the molecular formula C64H56N4O and a molecular weight of 897.18 g/mol. Its IUPAC name is 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
• PubChem CID: 162704513
• Molecular Formula: C64H56N4O
• Molecular Weight: 897.18 g/mol
• Exact Mass: 896.45
• IUPAC Name: 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-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)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C64H56N4O/c1-62(2)38-20-39-63(3,4)64(62,47-25-12-7-13-26-47)48-37-40-65-60(41-48)68-56-32-15-14-29-54(56)55-36-35-51(43-59(55)68)69-50-28-18-27-49(42-50)66-44-67(58-34-17-16-33-57(58)66)61-52(45-21-8-5-9-22-45)30-19-31-53(61)46-23-10-6-11-24-46/h5-19,21-37,40-43H,20,38-39,44H2,1-4H3
• InChIKey: JFDYPBQVBRJGDK-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.18
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole (CID 162704513) is 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-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)c6ccccc65)c4)cc32)c1.

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

The InChIKey is JFDYPBQVBRJGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N4O/c1-62(2)38-20-39-63(3,4)64(62,47-25-12-7-13-26-47)48-37-40-65-60(41-48)68-56-32-15-14-29-54(56)55-36-35-51(43-59(55)68)69-50-28-18-27-49(42-50)66-44-67(58-34-17-16-33-57(58)66)61-52(45-21-8-5-9-22-45)30-19-31-53(61)46-23-10-6-11-24-46/h5-19,21-37,40-43H,20,38-39,44H2,1-4H3.

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

2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole has a molecular weight of 897.18 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162704513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).