1-phenyl-3-(3-phenylpropyl)benzene

C21H20 — CID 153492299

IUPAC1-phenyl-3-(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2
InChIKeyLIYQAJHLNHPPQA-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.53
Rot. Bonds5

About 1-phenyl-3-(3-phenylpropyl)benzene

1-phenyl-3-(3-phenylpropyl)benzene (PubChem CID 153492299) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylpropyl)benzene
PubChem CID153492299
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-phenyl-3-(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2
InChIKeyLIYQAJHLNHPPQA-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3-phenylphenyl)propan-1-amine
CID 68886504
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
1-phenyl-3-propylbenzene
CID 4110465
N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylpropyl)benzene?
The IUPAC name of 1-phenyl-3-(3-phenylpropyl)benzene (CID 153492299) is 1-phenyl-3-(3-phenylpropyl)benzene.
What is the SMILES notation for 1-phenyl-3-(3-phenylpropyl)benzene?
The canonical SMILES for 1-phenyl-3-(3-phenylpropyl)benzene is c1ccc(CCCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-phenyl-3-(3-phenylpropyl)benzene?
The InChIKey is LIYQAJHLNHPPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-3-9-18(10-4-1)11-7-12-19-13-8-16-21(17-19)20-14-5-2-6-15-20/h1-6,8-10,13-17H,7,11-12H2.
What are the key properties of 1-phenyl-3-(3-phenylpropyl)benzene?
1-phenyl-3-(3-phenylpropyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylpropyl)benzene is sourced from PubChem (CID 153492299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).