1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene

C27H24 — CID 142401875

IUPAC1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
SMILESCc1cccc(-c2ccc(Cc3ccc(-c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C27H24/c1-20-5-3-7-26(17-20)24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)27-8-4-6-21(2)18-27/h3-18H,19H2,1-2H3
InChIKeyLDCYWYUTWLWBAM-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.23
Rot. Bonds4

About 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene

1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene (PubChem CID 142401875) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
PubChem CID142401875
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
SMILESCc1cccc(-c2ccc(Cc3ccc(-c4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C27H24/c1-20-5-3-7-26(17-20)24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)27-8-4-6-21(2)18-27/h3-18H,19H2,1-2H3
InChIKeyLDCYWYUTWLWBAM-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene?
The IUPAC name of 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene (CID 142401875) is 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene?
The canonical SMILES for 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene is Cc1cccc(-c2ccc(Cc3ccc(-c4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene?
The InChIKey is LDCYWYUTWLWBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-20-5-3-7-26(17-20)24-13-9-22(10-14-24)19-23-11-15-25(16-12-23)27-8-4-6-21(2)18-27/h3-18H,19H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene?
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene has a molecular weight of 348.49 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene is sourced from PubChem (CID 142401875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).