1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene

C29H28 — CID 140856009

IUPAC1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
SMILESCc1cccc(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(C)c4)c3)c2)c1
InChIInChI=1S/C29H28/c1-19-7-6-8-24(10-19)26-13-22(4)15-28(17-26)29-16-23(5)14-27(18-29)25-11-20(2)9-21(3)12-25/h6-18H,1-5H3
InChIKeySNASLQBHWSLIKS-UHFFFAOYSA-N
MW376.54 g/mol
LogP8.23
Rot. Bonds3

About 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene

1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene (PubChem CID 140856009) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
PubChem CID140856009
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
SMILESCc1cccc(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(C)c4)c3)c2)c1
InChIInChI=1S/C29H28/c1-19-7-6-8-24(10-19)26-13-22(4)15-28(17-26)29-16-23(5)14-27(18-29)25-11-20(2)9-21(3)12-25/h6-18H,1-5H3
InChIKeySNASLQBHWSLIKS-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
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-(3-phenylphenyl)benzene;sulfane
CID 174481520
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
CID 173474861
CID 173474861

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene (CID 140856009) is 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene is Cc1cccc(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(C)c4)c3)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene?
The InChIKey is SNASLQBHWSLIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-19-7-6-8-24(10-19)26-13-22(4)15-28(17-26)29-16-23(5)14-27(18-29)25-11-20(2)9-21(3)12-25/h6-18H,1-5H3.
What are the key properties of 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene?
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene has a molecular weight of 376.54 g/mol, XLogP of 8.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 140856009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).