1,3-dibenzhydryl-5-methoxy-2-methylbenzene

C34H30O — CID 170203409

IUPAC1,3-dibenzhydryl-5-methoxy-2-methylbenzene
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(C)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H30O/c1-25-31(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-30(35-2)24-32(25)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-24,33-34H,1-2H3
InChIKeyNAVJVOQJFHEBOR-UHFFFAOYSA-N
MW454.61 g/mol
LogP8.36
Rot. Bonds7

About 1,3-dibenzhydryl-5-methoxy-2-methylbenzene

1,3-dibenzhydryl-5-methoxy-2-methylbenzene (PubChem CID 170203409) has the molecular formula C34H30O and a molecular weight of 454.61 g/mol. Its IUPAC name is 1,3-dibenzhydryl-5-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1,3-dibenzhydryl-5-methoxy-2-methylbenzene
PubChem CID170203409
Molecular FormulaC34H30O
Molecular Weight454.61 g/mol
Exact Mass454.23
IUPAC Name1,3-dibenzhydryl-5-methoxy-2-methylbenzene
SMILESCOc1cc(C(c2ccccc2)c2ccccc2)c(C)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C34H30O/c1-25-31(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-30(35-2)24-32(25)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-24,33-34H,1-2H3
InChIKeyNAVJVOQJFHEBOR-UHFFFAOYSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
CID 158181373
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1,3-bis[4-methoxy-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazolidine
CID 161065401
1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
CID 175206372
4-methoxy-2-[phenyl(thiophen-2-yl)methyl]aniline
CID 102336988
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzhydryl-5-methoxy-2-methylbenzene?
The IUPAC name of 1,3-dibenzhydryl-5-methoxy-2-methylbenzene (CID 170203409) is 1,3-dibenzhydryl-5-methoxy-2-methylbenzene.
What is the SMILES notation for 1,3-dibenzhydryl-5-methoxy-2-methylbenzene?
The canonical SMILES for 1,3-dibenzhydryl-5-methoxy-2-methylbenzene is COc1cc(C(c2ccccc2)c2ccccc2)c(C)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1,3-dibenzhydryl-5-methoxy-2-methylbenzene?
The InChIKey is NAVJVOQJFHEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O/c1-25-31(33(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-30(35-2)24-32(25)34(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-24,33-34H,1-2H3.
What are the key properties of 1,3-dibenzhydryl-5-methoxy-2-methylbenzene?
1,3-dibenzhydryl-5-methoxy-2-methylbenzene has a molecular weight of 454.61 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzhydryl-5-methoxy-2-methylbenzene is sourced from PubChem (CID 170203409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).