2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol

C72H61N3O — CID 164713571

IUPAC2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
SMILES[2H]C([2H])(c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cccc(-c6ccccc6-c6ccccc6)c4O)n5-c4ccc(C([2H])([2H])C5CCCC5)cc4-c4ccccc4)c3)c2)cc1)C1CCCC1
InChIInChI=1S/C72H61N3O/c76-71-64(63-29-15-14-28-61(63)55-24-6-2-7-25-55)31-16-32-65(71)72-74-70-62(30-17-33-69(70)75(72)68-39-36-52(43-50-20-12-13-21-50)44-66(68)56-26-8-3-9-27-56)59-45-58(53-22-4-1-5-23-53)46-60(47-59)67-48-57(40-41-73-67)54-37-34-51(35-38-54)42-49-18-10-11-19-49/h1-9,14-17,22-41,44-50,76H,10-13,18-21,42-43H2/i42D2,43D2
InChIKeySKVZIMQSLIKMMQ-ZUEONARASA-N
MW988.32 g/mol
LogP18.93
Rot. Bonds13

About 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol

2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (PubChem CID 164713571) has the molecular formula C72H61N3O and a molecular weight of 988.32 g/mol. Its IUPAC name is 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.

Molecular Properties

Compound Name2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
PubChem CID164713571
Molecular FormulaC72H61N3O
Molecular Weight988.32 g/mol
Exact Mass987.51
IUPAC Name2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
SMILES[2H]C([2H])(c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cccc(-c6ccccc6-c6ccccc6)c4O)n5-c4ccc(C([2H])([2H])C5CCCC5)cc4-c4ccccc4)c3)c2)cc1)C1CCCC1
InChIInChI=1S/C72H61N3O/c76-71-64(63-29-15-14-28-61(63)55-24-6-2-7-25-55)31-16-32-65(71)72-74-70-62(30-17-33-69(70)75(72)68-39-36-52(43-50-20-12-13-21-50)44-66(68)56-26-8-3-9-27-56)59-45-58(53-22-4-1-5-23-53)46-60(47-59)67-48-57(40-41-73-67)54-37-34-51(35-38-54)42-49-18-10-11-19-49/h1-9,14-17,22-41,44-50,76H,10-13,18-21,42-43H2/i42D2,43D2
InChIKeySKVZIMQSLIKMMQ-ZUEONARASA-N
XLogP18.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.32
LogP ≤ 518.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol with MolForge

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Related Compounds

2-[1-[4-(cyclopentylmethyl)-2-phenylphenyl]-4-[3-[4-[4-(1,4-dideuterio-4-phenylcyclohexyl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
CID 164713298
4-tert-butyl-2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713154
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713637
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713246
2-[4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713102
4-tert-butyl-2-[4-[3-[4-(4-cyclohexylphenyl)-2-pyridinyl]-5-phenylphenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713629
2-[4-[3-tert-butyl-5-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713114
2-[4-[3-tert-butyl-5-[4-[4-(1,1-diphenylethyl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 164713266
4-tert-butyl-2-[4-[3-tert-butyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713333
2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol;platinum
CID 164713302
2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-phenyl-5-[4-[3-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-6-phenylphenol;platinum
CID 164713451
2-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(cyclopentylmethyl)-2-phenylphenyl]benzimidazol-2-yl]-6-phenylphenol
CID 164713393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?
The IUPAC name of 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (CID 164713571) is 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.
What is the SMILES notation for 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?
The canonical SMILES for 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is [2H]C([2H])(c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cccc(-c6ccccc6-c6ccccc6)c4O)n5-c4ccc(C([2H])([2H])C5CCCC5)cc4-c4ccccc4)c3)c2)cc1)C1CCCC1.
What is the InChIKey of 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?
The InChIKey is SKVZIMQSLIKMMQ-ZUEONARASA-N. The full InChI is InChI=1S/C72H61N3O/c76-71-64(63-29-15-14-28-61(63)55-24-6-2-7-25-55)31-16-32-65(71)72-74-70-62(30-17-33-69(70)75(72)68-39-36-52(43-50-20-12-13-21-50)44-66(68)56-26-8-3-9-27-56)59-45-58(53-22-4-1-5-23-53)46-60(47-59)67-48-57(40-41-73-67)54-37-34-51(35-38-54)42-49-18-10-11-19-49/h1-9,14-17,22-41,44-50,76H,10-13,18-21,42-43H2/i42D2,43D2.
What are the key properties of 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol?
2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol has a molecular weight of 988.32 g/mol, XLogP of 18.93, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[cyclopentyl(dideuterio)methyl]-2-phenylphenyl]-4-[3-[4-[4-[cyclopentyl(dideuterio)methyl]phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is sourced from PubChem (CID 164713571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).