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

C65H76N4O — CID 160624158

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

2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 160624158) has the molecular formula C65H76N4O and a molecular weight of 929.35 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 160624158
• Molecular Formula: C65H76N4O
• Molecular Weight: 929.35 g/mol
• Exact Mass: 928.60
• IUPAC Name: 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1
• InChI: InChI=1S/C65H76N4O/c1-60(2,3)43-24-21-25-47(32-43)67-41-68(58-40-54(64(13,14)15)53(39-57(58)67)63(10,11)12)48-33-46(62(7,8)9)34-50(37-48)70-49-27-28-51-52-35-45(65(16,17)42-22-19-18-20-23-42)26-29-55(52)69(56(51)38-49)59-36-44(30-31-66-59)61(4,5)6/h18-40H,41H2,1-17H3
• InChIKey: ZNNODKUUMFUGHK-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.35
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (CID 160624158) is 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole.

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

The canonical SMILES for 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1.

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

The InChIKey is ZNNODKUUMFUGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H76N4O/c1-60(2,3)43-24-21-25-47(32-43)67-41-68(58-40-54(64(13,14)15)53(39-57(58)67)63(10,11)12)48-33-46(62(7,8)9)34-50(37-48)70-49-27-28-51-52-35-45(65(16,17)42-22-19-18-20-23-42)26-29-55(52)69(56(51)38-49)59-36-44(30-31-66-59)61(4,5)6/h18-40H,41H2,1-17H3.

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

2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 929.35 g/mol, XLogP of 18.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 160624158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).