1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene

C26H22 — CID 145321706

IUPAC1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
SMILESCc1cc(Cc2cccc(-c3ccccc3)c2)cc(-c2ccccc2)c1
InChIInChI=1S/C26H22/c1-20-15-22(19-26(16-20)24-12-6-3-7-13-24)17-21-9-8-14-25(18-21)23-10-4-2-5-11-23/h2-16,18-19H,17H2,1H3
InChIKeyDEHLXXVUYAPRSI-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.92
Rot. Bonds4

About 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene

1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene (PubChem CID 145321706) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
PubChem CID145321706
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
SMILESCc1cc(Cc2cccc(-c3ccccc3)c2)cc(-c2ccccc2)c1
InChIInChI=1S/C26H22/c1-20-15-22(19-26(16-20)24-12-6-3-7-13-24)17-21-9-8-14-25(18-21)23-10-4-2-5-11-23/h2-16,18-19H,17H2,1H3
InChIKeyDEHLXXVUYAPRSI-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene?
The IUPAC name of 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene (CID 145321706) is 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene.
What is the SMILES notation for 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene?
The canonical SMILES for 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene is Cc1cc(Cc2cccc(-c3ccccc3)c2)cc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene?
The InChIKey is DEHLXXVUYAPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-20-15-22(19-26(16-20)24-12-6-3-7-13-24)17-21-9-8-14-25(18-21)23-10-4-2-5-11-23/h2-16,18-19H,17H2,1H3.
What are the key properties of 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene?
1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene has a molecular weight of 334.46 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene is sourced from PubChem (CID 145321706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).