2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

C70H62N6O — CID 177093698

About 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol

2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (PubChem CID 177093698) has the molecular formula C70H62N6O and a molecular weight of 1003.31 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
• PubChem CID: 177093698
• Molecular Formula: C70H62N6O
• Molecular Weight: 1003.31 g/mol
• Exact Mass: 1002.50
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c34)ccn2)cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C70H62N6O/c1-68(2,3)49-36-45(54-22-19-28-63-65(54)74-67(58-21-11-13-29-64(58)77)76(63)53-42-50(69(4,5)6)41-51(43-53)70(7,8)9)34-46(37-49)61-40-44(30-33-73-61)55-23-18-24-57-56-20-10-12-27-62(56)75(66(55)57)52-38-47(59-25-14-16-31-71-59)35-48(39-52)60-26-15-17-32-72-60/h10-43,77H,1-9H3
• InChIKey: GDBHSLNWDVBEME-UHFFFAOYSA-N
• XLogP: 17.91
• TPSA: 81.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.31
LogP ≤ 5	17.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol (CID 177093698) is 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3cccc4c5ccccc5n(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c34)ccn2)cc(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?

The InChIKey is GDBHSLNWDVBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N6O/c1-68(2,3)49-36-45(54-22-19-28-63-65(54)74-67(58-21-11-13-29-64(58)77)76(63)53-42-50(69(4,5)6)41-51(43-53)70(7,8)9)34-46(37-49)61-40-44(30-33-73-61)55-23-18-24-57-56-20-10-12-27-62(56)75(66(55)57)52-38-47(59-25-14-16-31-71-59)35-48(39-52)60-26-15-17-32-72-60/h10-43,77H,1-9H3.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol?

2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 1003.31 g/mol, XLogP of 17.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 177093698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).