2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C66H62N4O — CID 155651546

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651546) has the molecular formula C66H62N4O and a molecular weight of 927.25 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155651546
• Molecular Formula: C66H62N4O
• Molecular Weight: 927.25 g/mol
• Exact Mass: 926.49
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: Cc1cccc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1
• InChI: InChI=1S/C66H62N4O/c1-44-21-20-22-45(2)63(44)46-35-52(41-55(36-46)71-54-31-32-57-56-27-16-17-28-58(56)70(61(57)42-54)62-40-49(33-34-67-62)64(3,4)5)68-43-69(60-30-19-18-29-59(60)68)53-38-50(65(6,7)47-23-12-10-13-24-47)37-51(39-53)66(8,9)48-25-14-11-15-26-48/h10-42H,43H2,1-9H3
• InChIKey: WWLNYZSHJXSYCZ-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.25
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651546) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cccc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1.

What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is WWLNYZSHJXSYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62N4O/c1-44-21-20-22-45(2)63(44)46-35-52(41-55(36-46)71-54-31-32-57-56-27-16-17-28-58(56)70(61(57)42-54)62-40-49(33-34-67-62)64(3,4)5)68-43-69(60-30-19-18-29-59(60)68)53-38-50(65(6,7)47-23-12-10-13-24-47)37-51(39-53)66(8,9)48-25-14-11-15-26-48/h10-42H,43H2,1-9H3.

What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 927.25 g/mol, XLogP of 17.45, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).