1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene

C38H30O — CID 140972747

IUPAC1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
SMILESCc1ccc(-c2cccc(-c3ccccc3)c2Oc2c(-c3ccccc3)cccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H30O/c1-27-19-23-31(24-20-27)35-17-9-15-33(29-11-5-3-6-12-29)37(35)39-38-34(30-13-7-4-8-14-30)16-10-18-36(38)32-25-21-28(2)22-26-32/h3-26H,1-2H3
InChIKeyXZYADGHKTRXFFQ-UHFFFAOYSA-N
MW502.66 g/mol
LogP10.76
Rot. Bonds6

About 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene

1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene (PubChem CID 140972747) has the molecular formula C38H30O and a molecular weight of 502.66 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
PubChem CID140972747
Molecular FormulaC38H30O
Molecular Weight502.66 g/mol
Exact Mass502.23
IUPAC Name1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
SMILESCc1ccc(-c2cccc(-c3ccccc3)c2Oc2c(-c3ccccc3)cccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H30O/c1-27-19-23-31(24-20-27)35-17-9-15-33(29-11-5-3-6-12-29)37(35)39-38-34(30-13-7-4-8-14-30)16-10-18-36(38)32-25-21-28(2)22-26-32/h3-26H,1-2H3
InChIKeyXZYADGHKTRXFFQ-UHFFFAOYSA-N
XLogP10.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1,3-diphenylbenzene
CID 23524590
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene?
The IUPAC name of 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene (CID 140972747) is 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene.
What is the SMILES notation for 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene?
The canonical SMILES for 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene is Cc1ccc(-c2cccc(-c3ccccc3)c2Oc2c(-c3ccccc3)cccc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene?
The InChIKey is XZYADGHKTRXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O/c1-27-19-23-31(24-20-27)35-17-9-15-33(29-11-5-3-6-12-29)37(35)39-38-34(30-13-7-4-8-14-30)16-10-18-36(38)32-25-21-28(2)22-26-32/h3-26H,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene?
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene has a molecular weight of 502.66 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene is sourced from PubChem (CID 140972747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).