1,2-bis(2-methylphenyl)-3-phenylbenzene

C26H22 — CID 175315364

IUPAC1,2-bis(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1cccc(-c2ccccc2)c1-c1ccccc1C
InChIInChI=1S/C26H22/c1-19-11-6-8-15-22(19)25-18-10-17-24(21-13-4-3-5-14-21)26(25)23-16-9-7-12-20(23)2/h3-18H,1-2H3
InChIKeyOTTYWQMMFZDUOX-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 1,2-bis(2-methylphenyl)-3-phenylbenzene

1,2-bis(2-methylphenyl)-3-phenylbenzene (PubChem CID 175315364) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,2-bis(2-methylphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis(2-methylphenyl)-3-phenylbenzene
PubChem CID175315364
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1,2-bis(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1cccc(-c2ccccc2)c1-c1ccccc1C
InChIInChI=1S/C26H22/c1-19-11-6-8-15-22(19)25-18-10-17-24(21-13-4-3-5-14-21)26(25)23-16-9-7-12-20(23)2/h3-18H,1-2H3
InChIKeyOTTYWQMMFZDUOX-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylphenyl)-3-phenylbenzene?
The IUPAC name of 1,2-bis(2-methylphenyl)-3-phenylbenzene (CID 175315364) is 1,2-bis(2-methylphenyl)-3-phenylbenzene.
What is the SMILES notation for 1,2-bis(2-methylphenyl)-3-phenylbenzene?
The canonical SMILES for 1,2-bis(2-methylphenyl)-3-phenylbenzene is Cc1ccccc1-c1cccc(-c2ccccc2)c1-c1ccccc1C.
What is the InChIKey of 1,2-bis(2-methylphenyl)-3-phenylbenzene?
The InChIKey is OTTYWQMMFZDUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-11-6-8-15-22(19)25-18-10-17-24(21-13-4-3-5-14-21)26(25)23-16-9-7-12-20(23)2/h3-18H,1-2H3.
What are the key properties of 1,2-bis(2-methylphenyl)-3-phenylbenzene?
1,2-bis(2-methylphenyl)-3-phenylbenzene has a molecular weight of 334.46 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylphenyl)-3-phenylbenzene is sourced from PubChem (CID 175315364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).