5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene

C37H28 — CID 58760870

IUPAC5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C37H28/c1-27-36(30-18-10-4-11-19-30)25-35(26-37(27)31-20-12-5-13-21-31)34-23-32(28-14-6-2-7-15-28)22-33(24-34)29-16-8-3-9-17-29/h2-26H,1H3
InChIKeyMLHCWVAIFDXRLH-UHFFFAOYSA-N
MW472.63 g/mol
LogP10.33
Rot. Bonds5

About 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene

5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene (PubChem CID 58760870) has the molecular formula C37H28 and a molecular weight of 472.63 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
PubChem CID58760870
Molecular FormulaC37H28
Molecular Weight472.63 g/mol
Exact Mass472.22
IUPAC Name5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C37H28/c1-27-36(30-18-10-4-11-19-30)25-35(26-37(27)31-20-12-5-13-21-31)34-23-32(28-14-6-2-7-15-28)22-33(24-34)29-16-8-3-9-17-29/h2-26H,1H3
InChIKeyMLHCWVAIFDXRLH-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene?
The IUPAC name of 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene (CID 58760870) is 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene?
The canonical SMILES for 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene is Cc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene?
The InChIKey is MLHCWVAIFDXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28/c1-27-36(30-18-10-4-11-19-30)25-35(26-37(27)31-20-12-5-13-21-31)34-23-32(28-14-6-2-7-15-28)22-33(24-34)29-16-8-3-9-17-29/h2-26H,1H3.
What are the key properties of 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene?
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene has a molecular weight of 472.63 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene is sourced from PubChem (CID 58760870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).