1-hexyl-2,3-diphenylbenzene

C24H26 — CID 54065322

IUPAC1-hexyl-2,3-diphenylbenzene
SMILESCCCCCCc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H26/c1-2-3-4-7-15-22-18-12-19-23(20-13-8-5-9-14-20)24(22)21-16-10-6-11-17-21/h5-6,8-14,16-19H,2-4,7,15H2,1H3
InChIKeyMCNHWHIMELNBFB-UHFFFAOYSA-N
MW314.47 g/mol
LogP7.14
Rot. Bonds7

About 1-hexyl-2,3-diphenylbenzene

1-hexyl-2,3-diphenylbenzene (PubChem CID 54065322) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-hexyl-2,3-diphenylbenzene.

Molecular Properties

Compound Name1-hexyl-2,3-diphenylbenzene
PubChem CID54065322
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-hexyl-2,3-diphenylbenzene
SMILESCCCCCCc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H26/c1-2-3-4-7-15-22-18-12-19-23(20-13-8-5-9-14-20)24(22)21-16-10-6-11-17-21/h5-6,8-14,16-19H,2-4,7,15H2,1H3
InChIKeyMCNHWHIMELNBFB-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

gold;1-pentyl-2-phenylbenzene
CID 174945702
1,3-dibutyl-2-phenylbenzene
CID 15421912
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1,2-di(nonyl)-3-phenylbenzene;phosphonous acid
CID 70527839
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
CID 150627398
1-hexyl-3-phenyl-2-(2-phenylethynyl)benzene
CID 101034679
3-docosyl-2-phenylbenzenesulfonic acid
CID 175338328

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,3-diphenylbenzene?
The IUPAC name of 1-hexyl-2,3-diphenylbenzene (CID 54065322) is 1-hexyl-2,3-diphenylbenzene.
What is the SMILES notation for 1-hexyl-2,3-diphenylbenzene?
The canonical SMILES for 1-hexyl-2,3-diphenylbenzene is CCCCCCc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-hexyl-2,3-diphenylbenzene?
The InChIKey is MCNHWHIMELNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-2-3-4-7-15-22-18-12-19-23(20-13-8-5-9-14-20)24(22)21-16-10-6-11-17-21/h5-6,8-14,16-19H,2-4,7,15H2,1H3.
What are the key properties of 1-hexyl-2,3-diphenylbenzene?
1-hexyl-2,3-diphenylbenzene has a molecular weight of 314.47 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3-diphenylbenzene is sourced from PubChem (CID 54065322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).