2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol

C67H63N3O — CID 164701273

IUPAC2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
SMILES[2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)C)cc(C(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1
InChIInChI=1S/C67H63N3O/c1-41(2)52-32-53(42(3)4)34-56(33-52)50-27-28-63(45(9)31-50)70-64-22-16-21-59(65(64)69-67(70)61-39-54(43(5)6)38-60(44(7)8)66(61)71)57-35-55(47-19-14-11-15-20-47)36-58(37-57)62-40-51(29-30-68-62)49-25-23-48(24-26-49)46-17-12-10-13-18-46/h10-44,71H,1-9H3/i41D,42D
InChIKeyPZUGSIYJIAZVTN-RHDBGVRGSA-N
MW928.27 g/mol
LogP18.60
Rot. Bonds12

About 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol

2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol (PubChem CID 164701273) has the molecular formula C67H63N3O and a molecular weight of 928.27 g/mol. Its IUPAC name is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
PubChem CID164701273
Molecular FormulaC67H63N3O
Molecular Weight928.27 g/mol
Exact Mass927.51
IUPAC Name2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
SMILES[2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)C)cc(C(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1
InChIInChI=1S/C67H63N3O/c1-41(2)52-32-53(42(3)4)34-56(33-52)50-27-28-63(45(9)31-50)70-64-22-16-21-59(65(64)69-67(70)61-39-54(43(5)6)38-60(44(7)8)66(61)71)57-35-55(47-19-14-11-15-20-47)36-58(37-57)62-40-51(29-30-68-62)49-25-23-48(24-26-49)46-17-12-10-13-18-46/h10-44,71H,1-9H3/i41D,42D
InChIKeyPZUGSIYJIAZVTN-RHDBGVRGSA-N
XLogP18.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.27
LogP ≤ 518.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol with MolForge

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Related Compounds

2-[1-[4-[3-(2-deuteriopropan-2-yl)-5-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153481638
2-[1-[4-(2-deuteriopropan-2-yl)-2-phenylphenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153478282
2-[1-[4-[3-(2-deuteriopropan-2-yl)-5-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153478718
2-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-[3-(2-deuteriopropan-2-yl)-5-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153480108
2-[1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153482104
2-[1-[2-(4-tert-butylphenyl)-4-(2-deuteriopropan-2-yl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153480336
2-[4-[3-tert-butyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[3-(2-deuteriopropan-2-yl)-5-phenylphenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153477741
2-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153476778
2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153476948
2-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-phenyl-3-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 153477203
2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
CID 167332085
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 164701340

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol?
The IUPAC name of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol (CID 164701273) is 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol is [2H]C(C)(C)c1cc(-c2ccc(-n3c(-c4cc(C(C)C)cc(C(C)C)c4O)nc4c(-c5cc(-c6ccccc6)cc(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)c5)cccc43)c(C)c2)cc(C([2H])(C)C)c1.
What is the InChIKey of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol?
The InChIKey is PZUGSIYJIAZVTN-RHDBGVRGSA-N. The full InChI is InChI=1S/C67H63N3O/c1-41(2)52-32-53(42(3)4)34-56(33-52)50-27-28-63(45(9)31-50)70-64-22-16-21-59(65(64)69-67(70)61-39-54(43(5)6)38-60(44(7)8)66(61)71)57-35-55(47-19-14-11-15-20-47)36-58(37-57)62-40-51(29-30-68-62)49-25-23-48(24-26-49)46-17-12-10-13-18-46/h10-44,71H,1-9H3/i41D,42D.
What are the key properties of 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol?
2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol has a molecular weight of 928.27 g/mol, XLogP of 18.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3,5-bis(2-deuteriopropan-2-yl)phenyl]-2-methylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol is sourced from PubChem (CID 164701273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).