1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene

C40H34O2 — CID 123600060

IUPAC1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C40H34O2/c1-41-36-28-24-32(25-29-36)39(30-14-6-3-7-15-30)31-22-26-35(27-23-31)40(33-16-8-4-9-17-33,34-18-10-5-11-19-34)37-20-12-13-21-38(37)42-2/h3-29,39H,1-2H3
InChIKeyZKCYZPUAACCJNY-UHFFFAOYSA-N
MW546.71 g/mol
LogP9.27
Rot. Bonds9

About 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene

1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene (PubChem CID 123600060) has the molecular formula C40H34O2 and a molecular weight of 546.71 g/mol. Its IUPAC name is 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
PubChem CID123600060
Molecular FormulaC40H34O2
Molecular Weight546.71 g/mol
Exact Mass546.26
IUPAC Name1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C40H34O2/c1-41-36-28-24-32(25-29-36)39(30-14-6-3-7-15-30)31-22-26-35(27-23-31)40(33-16-8-4-9-17-33,34-18-10-5-11-19-34)37-20-12-13-21-38(37)42-2/h3-29,39H,1-2H3
InChIKeyZKCYZPUAACCJNY-UHFFFAOYSA-N
XLogP9.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
[4-[(4-methoxyphenyl)-diphenylmethyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate;[4-[(4-methoxyphenyl)-phenylmethyl]phenyl] acetate
CID 161219499
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
CID 160759704
(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene?
The IUPAC name of 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene (CID 123600060) is 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene.
What is the SMILES notation for 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene?
The canonical SMILES for 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene is COc1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3OC)cc2)cc1.
What is the InChIKey of 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene?
The InChIKey is ZKCYZPUAACCJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O2/c1-41-36-28-24-32(25-29-36)39(30-14-6-3-7-15-30)31-22-26-35(27-23-31)40(33-16-8-4-9-17-33,34-18-10-5-11-19-34)37-20-12-13-21-38(37)42-2/h3-29,39H,1-2H3.
What are the key properties of 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene?
1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene has a molecular weight of 546.71 g/mol, XLogP of 9.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene is sourced from PubChem (CID 123600060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).