1,4-bis(3-phenylpropyl)benzene

C24H26 — CID 59467322

IUPAC1,4-bis(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12,17-20H,7-8,13-16H2
InChIKeyHUXUSCNGUMRFAE-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.04
Rot. Bonds8

About 1,4-bis(3-phenylpropyl)benzene

1,4-bis(3-phenylpropyl)benzene (PubChem CID 59467322) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,4-bis(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1,4-bis(3-phenylpropyl)benzene
PubChem CID59467322
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1,4-bis(3-phenylpropyl)benzene
SMILESc1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H26/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12,17-20H,7-8,13-16H2
InChIKeyHUXUSCNGUMRFAE-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 159131095
CID 159131095
4-phenylbutylbenzene
CID 141301927
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
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
benzene;2-phenylethylbenzene
CID 18982764
butylbenzene
CID 91440396
zinc butylbenzene
CID 563257
benzene;3-phenylpropan-1-amine
CID 174865683
pentylbenzene
CID 91255123
hafnium;2-phenylethylbenzene
CID 173109801
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-phenylpropyl)benzene?
The IUPAC name of 1,4-bis(3-phenylpropyl)benzene (CID 59467322) is 1,4-bis(3-phenylpropyl)benzene.
What is the SMILES notation for 1,4-bis(3-phenylpropyl)benzene?
The canonical SMILES for 1,4-bis(3-phenylpropyl)benzene is c1ccc(CCCc2ccc(CCCc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-bis(3-phenylpropyl)benzene?
The InChIKey is HUXUSCNGUMRFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-6,9-12,17-20H,7-8,13-16H2.
What are the key properties of 1,4-bis(3-phenylpropyl)benzene?
1,4-bis(3-phenylpropyl)benzene has a molecular weight of 314.47 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-phenylpropyl)benzene is sourced from PubChem (CID 59467322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).