1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene

C27H24O2 — CID 134976312

IUPAC1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24O2/c1-28-25-16-12-23(13-17-25)27(24-14-18-26(29-2)19-15-24)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,27H,1-2H3
InChIKeyUMKASHQLGLLERC-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.55
Rot. Bonds6

About 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene

1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene (PubChem CID 134976312) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
PubChem CID134976312
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H24O2/c1-28-25-16-12-23(13-17-25)27(24-14-18-26(29-2)19-15-24)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,27H,1-2H3
InChIKeyUMKASHQLGLLERC-UHFFFAOYSA-N
XLogP6.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene?
The IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene (CID 134976312) is 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene is COc1ccc(C(c2ccc(OC)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene?
The InChIKey is UMKASHQLGLLERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-28-25-16-12-23(13-17-25)27(24-14-18-26(29-2)19-15-24)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19,27H,1-2H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene?
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene has a molecular weight of 380.49 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene is sourced from PubChem (CID 134976312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).