1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene

C31H24O — CID 176774050

IUPAC1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
SMILESCOc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C31H24O/c1-32-31-18-16-26(17-19-31)25-12-14-27(15-13-25)30-21-28(23-8-4-2-5-9-23)20-29(22-30)24-10-6-3-7-11-24/h2-22H,1H3
InChIKeyFXBLBFLKNCEGTH-UHFFFAOYSA-N
MW412.53 g/mol
LogP8.36
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene

1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene (PubChem CID 176774050) has the molecular formula C31H24O and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
PubChem CID176774050
Molecular FormulaC31H24O
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
SMILESCOc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C31H24O/c1-32-31-18-16-26(17-19-31)25-12-14-27(15-13-25)30-21-28(23-8-4-2-5-9-23)20-29(22-30)24-10-6-3-7-11-24/h2-22H,1H3
InChIKeyFXBLBFLKNCEGTH-UHFFFAOYSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-methoxy-6-phenylnaphthalene
CID 11253308
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1,3-dimethoxy-5-phenylbenzene
CID 11469945
4-(4-methoxyphenyl)-1-methyl-2,6-diphenylpyridin-1-ium
CID 2326756
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene (CID 176774050) is 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene is COc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene?
The InChIKey is FXBLBFLKNCEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O/c1-32-31-18-16-26(17-19-31)25-12-14-27(15-13-25)30-21-28(23-8-4-2-5-9-23)20-29(22-30)24-10-6-3-7-11-24/h2-22H,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene?
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene has a molecular weight of 412.53 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene is sourced from PubChem (CID 176774050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).