2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol

C63H60N4O — CID 177094200

About 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol

2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol (PubChem CID 177094200) has the molecular formula C63H60N4O and a molecular weight of 889.20 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol
• PubChem CID: 177094200
• Molecular Formula: C63H60N4O
• Molecular Weight: 889.20 g/mol
• Exact Mass: 888.48
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol
• SMILES: C=Cc1cc2cccc(-c3ccnc(-c4cc(-c5cccc6c5nc(-c5ccc(-c7c(C(C)(C)C)ccc8cc(C(C)(C)C)ccc78)cc5O)n6C)cc(C(C)(C)C)c4)c3)c2n1-c1ccccc1
• InChI: InChI=1S/C63H60N4O/c1-12-47-36-42-18-16-22-51(59(42)67(47)48-19-14-13-15-20-48)40-30-31-64-54(37-40)44-32-43(34-46(35-44)62(5,6)7)50-21-17-23-55-58(50)65-60(66(55)11)52-27-24-41(38-56(52)68)57-49-28-26-45(61(2,3)4)33-39(49)25-29-53(57)63(8,9)10/h12-38,68H,1H2,2-11H3
• InChIKey: ZFOKQQMUPJZPIA-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.20
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol (CID 177094200) is 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol is C=Cc1cc2cccc(-c3ccnc(-c4cc(-c5cccc6c5nc(-c5ccc(-c7c(C(C)(C)C)ccc8cc(C(C)(C)C)ccc78)cc5O)n6C)cc(C(C)(C)C)c4)c3)c2n1-c1ccccc1.

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol?

The InChIKey is ZFOKQQMUPJZPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60N4O/c1-12-47-36-42-18-16-22-51(59(42)67(47)48-19-14-13-15-20-48)40-30-31-64-54(37-40)44-32-43(34-46(35-44)62(5,6)7)50-21-17-23-55-58(50)65-60(66(55)11)52-27-24-41(38-56(52)68)57-49-28-26-45(61(2,3)4)33-39(49)25-29-53(57)63(8,9)10/h12-38,68H,1H2,2-11H3.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol?

2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol has a molecular weight of 889.20 g/mol, XLogP of 16.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol is sourced from PubChem (CID 177094200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).