1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

C39H36N2O2 — CID 18668662

IUPAC1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCOc1cccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)c1
InChIInChI=1S/C39H36N2O2/c1-29(2)39(42,35-24-22-30(23-25-35)31-14-13-21-36(26-31)43-3)37-27-41(28-40-37)38(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-29,42H,1-3H3
InChIKeySOSRWIZPEMZVEU-UHFFFAOYSA-N
MW564.73 g/mol
LogP8.29
Rot. Bonds9

About 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 18668662) has the molecular formula C39H36N2O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID18668662
Molecular FormulaC39H36N2O2
Molecular Weight564.73 g/mol
Exact Mass564.28
IUPAC Name1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCOc1cccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)c1
InChIInChI=1S/C39H36N2O2/c1-29(2)39(42,35-24-22-30(23-25-35)31-14-13-21-36(26-31)43-3)37-27-41(28-40-37)38(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-29,42H,1-3H3
InChIKeySOSRWIZPEMZVEU-UHFFFAOYSA-N
XLogP8.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18769087
1-[3-(4-fluorophenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18668533
N-[3-[4-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]phenyl]phenyl]acetamide
CID 18668639
1-(6-ethoxynaphthalen-2-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol;1-(6-ethoxynaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 157221033
1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 22018363
3-(3-methoxyphenyl)-1-tritylpyrazole
CID 174775864
(6-methoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanol
CID 11092260
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
2-[(S)-hydroxy-[6-(methylcarbamoyl)naphthalen-2-yl]-(1-tritylimidazol-4-yl)methyl]-3,3-dimethylbutanoic acid
CID 66650554
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate
CID 22018417
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 18668662) is 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is COc1cccc(-c2ccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is SOSRWIZPEMZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N2O2/c1-29(2)39(42,35-24-22-30(23-25-35)31-14-13-21-36(26-31)43-3)37-27-41(28-40-37)38(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-29,42H,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 564.73 g/mol, XLogP of 8.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 18668662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).