2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole

C62H54N4O — CID 164726988

About 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole

2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 164726988) has the molecular formula C62H54N4O and a molecular weight of 871.14 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
• PubChem CID: 164726988
• Molecular Formula: C62H54N4O
• Molecular Weight: 871.14 g/mol
• Exact Mass: 870.43
• IUPAC Name: 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
• SMILES: Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc(C(C)(C)C)cc6)c6cc(-c7ccccc7)ccc65)c4)cc32)ncc1-c1ccc(C(C)(C)c2ccccc2)cc1
• InChI: InChI=1S/C62H54N4O/c1-42-36-60(63-40-55(42)44-24-27-48(28-25-44)62(5,6)47-18-11-8-12-19-47)66-56-23-14-13-22-53(56)54-34-33-52(39-58(54)66)67-51-21-15-20-50(38-51)65-41-64(49-31-29-46(30-32-49)61(2,3)4)59-37-45(26-35-57(59)65)43-16-9-7-10-17-43/h7-40H,41H2,1-6H3
• InChIKey: GGNFRGVTEOUDET-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.14
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole (CID 164726988) is 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc(C(C)(C)C)cc6)c6cc(-c7ccccc7)ccc65)c4)cc32)ncc1-c1ccc(C(C)(C)c2ccccc2)cc1.

What is the InChIKey of 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole?

The InChIKey is GGNFRGVTEOUDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N4O/c1-42-36-60(63-40-55(42)44-24-27-48(28-25-44)62(5,6)47-18-11-8-12-19-47)66-56-23-14-13-22-53(56)54-34-33-52(39-58(54)66)67-51-21-15-20-50(38-51)65-41-64(49-31-29-46(30-32-49)61(2,3)4)59-37-45(26-35-57(59)65)43-16-9-7-10-17-43/h7-40H,41H2,1-6H3.

What are the key properties of 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole?

2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 871.14 g/mol, XLogP of 16.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 164726988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).