1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane

C25H30 — CID 145412167

IUPAC1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)cc(C(c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H24.C2H6/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22;1-2/h5-15,23H,1-4H3;1-2H3
InChIKeyRCBQNFAYIVEZCQ-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.13
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane

1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane (PubChem CID 145412167) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
PubChem CID145412167
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
SMILESCC.Cc1cc(C)cc(C(c2ccccc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H24.C2H6/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22;1-2/h5-15,23H,1-4H3;1-2H3
InChIKeyRCBQNFAYIVEZCQ-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane?
The IUPAC name of 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane (CID 145412167) is 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane?
The canonical SMILES for 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane is CC.Cc1cc(C)cc(C(c2ccccc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane?
The InChIKey is RCBQNFAYIVEZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24.C2H6/c1-16-10-17(2)13-21(12-16)23(20-8-6-5-7-9-20)22-14-18(3)11-19(4)15-22;1-2/h5-15,23H,1-4H3;1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane?
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane has a molecular weight of 330.52 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane is sourced from PubChem (CID 145412167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).