1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene

C48H42 — CID 140841473

IUPAC1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
SMILESCc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4cccc(-c5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C48H42/c1-31-16-32(2)20-43(19-31)37-10-7-13-40(25-37)46-28-47(41-14-8-11-38(26-41)44-21-33(3)17-34(4)22-44)30-48(29-46)42-15-9-12-39(27-42)45-23-35(5)18-36(6)24-45/h7-30H,1-6H3
InChIKeyJAZKHQHHDJCISH-UHFFFAOYSA-N
MW618.86 g/mol
LogP13.54
Rot. Bonds6

About 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene

1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene (PubChem CID 140841473) has the molecular formula C48H42 and a molecular weight of 618.86 g/mol. Its IUPAC name is 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
PubChem CID140841473
Molecular FormulaC48H42
Molecular Weight618.86 g/mol
Exact Mass618.33
IUPAC Name1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
SMILESCc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4cccc(-c5cc(C)cc(C)c5)c4)c3)c2)c1
InChIInChI=1S/C48H42/c1-31-16-32(2)20-43(19-31)37-10-7-13-40(25-37)46-28-47(41-14-8-11-38(26-41)44-21-33(3)17-34(4)22-44)30-48(29-46)42-15-9-12-39(27-42)45-23-35(5)18-36(6)24-45/h7-30H,1-6H3
InChIKeyJAZKHQHHDJCISH-UHFFFAOYSA-N
XLogP13.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
CID 126680633
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene?
The IUPAC name of 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene (CID 140841473) is 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene?
The canonical SMILES for 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene is Cc1cc(C)cc(-c2cccc(-c3cc(-c4cccc(-c5cc(C)cc(C)c5)c4)cc(-c4cccc(-c5cc(C)cc(C)c5)c4)c3)c2)c1.
What is the InChIKey of 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene?
The InChIKey is JAZKHQHHDJCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42/c1-31-16-32(2)20-43(19-31)37-10-7-13-40(25-37)46-28-47(41-14-8-11-38(26-41)44-21-33(3)17-34(4)22-44)30-48(29-46)42-15-9-12-39(27-42)45-23-35(5)18-36(6)24-45/h7-30H,1-6H3.
What are the key properties of 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene?
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene has a molecular weight of 618.86 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene is sourced from PubChem (CID 140841473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).