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

C30H30 — CID 123640125

IUPAC1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene
SMILESCc1ccc(C)c(Cc2cccc(-c3ccccc3)c2Cc2cc(C)ccc2C)c1
InChIInChI=1S/C30H30/c1-21-13-15-23(3)27(17-21)19-26-11-8-12-29(25-9-6-5-7-10-25)30(26)20-28-18-22(2)14-16-24(28)4/h5-18H,19-20H2,1-4H3
InChIKeyWQWWRHQXIZPWRD-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.77
Rot. Bonds5

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

1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene (PubChem CID 123640125) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene
PubChem CID123640125
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene
SMILESCc1ccc(C)c(Cc2cccc(-c3ccccc3)c2Cc2cc(C)ccc2C)c1
InChIInChI=1S/C30H30/c1-21-13-15-23(3)27(17-21)19-26-11-8-12-29(25-9-6-5-7-10-25)30(26)20-28-18-22(2)14-16-24(28)4/h5-18H,19-20H2,1-4H3
InChIKeyWQWWRHQXIZPWRD-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Benzo(B)Fluoranthene
CID 9153
Benzo(K)Fluoranthene
CID 9158
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene?
The IUPAC name of 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene (CID 123640125) is 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene.
What is the SMILES notation for 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene?
The canonical SMILES for 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene is Cc1ccc(C)c(Cc2cccc(-c3ccccc3)c2Cc2cc(C)ccc2C)c1.
What is the InChIKey of 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene?
The InChIKey is WQWWRHQXIZPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-21-13-15-23(3)27(17-21)19-26-11-8-12-29(25-9-6-5-7-10-25)30(26)20-28-18-22(2)14-16-24(28)4/h5-18H,19-20H2,1-4H3.
What are the key properties of 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene?
1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene has a molecular weight of 390.57 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2,5-dimethylphenyl)methyl]-3-phenylbenzene is sourced from PubChem (CID 123640125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).