1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene

C40H34 — CID 59552818

IUPAC1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)c(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C40H34/c1-27-18-28(2)21-37(20-27)33-13-8-12-32(24-33)35-16-17-39(40(26-35)31-10-6-5-7-11-31)36-15-9-14-34(25-36)38-22-29(3)19-30(4)23-38/h5-26H,1-4H3
InChIKeyPJDZFBKXICUSLP-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.26
Rot. Bonds5

About 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene

1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene (PubChem CID 59552818) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene.

Molecular Properties

Compound Name1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
PubChem CID59552818
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)c(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C40H34/c1-27-18-28(2)21-37(20-27)33-13-8-12-32(24-33)35-16-17-39(40(26-35)31-10-6-5-7-11-31)36-15-9-14-34(25-36)38-22-29(3)19-30(4)23-38/h5-26H,1-4H3
InChIKeyPJDZFBKXICUSLP-UHFFFAOYSA-N
XLogP11.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(3-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene
CID 161087634
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
CID 59552735
1,2-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(2-methylphenyl)phenyl]benzene;1,4-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(4-methylphenyl)phenyl]-5-phenylbenzene;1,4-bis[3-(4-methylphenyl)phenyl]-2-phenylbenzene;1,2-dimethyl-4,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 158504879
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene?
The IUPAC name of 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene (CID 59552818) is 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene.
What is the SMILES notation for 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene?
The canonical SMILES for 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene is Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cc(C)cc(C)c5)c4)c(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene?
The InChIKey is PJDZFBKXICUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-27-18-28(2)21-37(20-27)33-13-8-12-32(24-33)35-16-17-39(40(26-35)31-10-6-5-7-11-31)36-15-9-14-34(25-36)38-22-29(3)19-30(4)23-38/h5-26H,1-4H3.
What are the key properties of 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene?
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene has a molecular weight of 514.71 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene is sourced from PubChem (CID 59552818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).