1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene

C27H24 — CID 57000067

IUPAC1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
SMILESc1ccc(-c2ccccc2CCCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H24/c1-3-12-22(13-4-1)26-20-9-7-16-24(26)18-11-19-25-17-8-10-21-27(25)23-14-5-2-6-15-23/h1-10,12-17,20-21H,11,18-19H2
InChIKeySEHWJXJPMLGAQV-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.20
Rot. Bonds6

About 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene

1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene (PubChem CID 57000067) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
PubChem CID57000067
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
SMILESc1ccc(-c2ccccc2CCCc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H24/c1-3-12-22(13-4-1)26-20-9-7-16-24(26)18-11-19-25-17-8-10-21-27(25)23-14-5-2-6-15-23/h1-10,12-17,20-21H,11,18-19H2
InChIKeySEHWJXJPMLGAQV-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene?
The IUPAC name of 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene (CID 57000067) is 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene.
What is the SMILES notation for 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene?
The canonical SMILES for 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene is c1ccc(-c2ccccc2CCCc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene?
The InChIKey is SEHWJXJPMLGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-3-12-22(13-4-1)26-20-9-7-16-24(26)18-11-19-25-17-8-10-21-27(25)23-14-5-2-6-15-23/h1-10,12-17,20-21H,11,18-19H2.
What are the key properties of 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene?
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene has a molecular weight of 348.49 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene is sourced from PubChem (CID 57000067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).