1-(4-ethylphenyl)-3,5-diphenylbenzene

C26H22 — CID 123998830

IUPAC1-(4-ethylphenyl)-3,5-diphenylbenzene
SMILESCCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22/c1-2-20-13-15-23(16-14-20)26-18-24(21-9-5-3-6-10-21)17-25(19-26)22-11-7-4-8-12-22/h3-19H,2H2,1H3
InChIKeyAAPJQDVWTCNUCO-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.25
Rot. Bonds4

About 1-(4-ethylphenyl)-3,5-diphenylbenzene

1-(4-ethylphenyl)-3,5-diphenylbenzene (PubChem CID 123998830) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,5-diphenylbenzene
PubChem CID123998830
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1-(4-ethylphenyl)-3,5-diphenylbenzene
SMILESCCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22/c1-2-20-13-15-23(16-14-20)26-18-24(21-9-5-3-6-10-21)17-25(19-26)22-11-7-4-8-12-22/h3-19H,2H2,1H3
InChIKeyAAPJQDVWTCNUCO-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
ethane;1,3,5-triphenylbenzene
CID 142123051
ethylcyclodecapentaene
CID 90861705
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,5-diphenylbenzene?
The IUPAC name of 1-(4-ethylphenyl)-3,5-diphenylbenzene (CID 123998830) is 1-(4-ethylphenyl)-3,5-diphenylbenzene.
What is the SMILES notation for 1-(4-ethylphenyl)-3,5-diphenylbenzene?
The canonical SMILES for 1-(4-ethylphenyl)-3,5-diphenylbenzene is CCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,5-diphenylbenzene?
The InChIKey is AAPJQDVWTCNUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-2-20-13-15-23(16-14-20)26-18-24(21-9-5-3-6-10-21)17-25(19-26)22-11-7-4-8-12-22/h3-19H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3,5-diphenylbenzene?
1-(4-ethylphenyl)-3,5-diphenylbenzene has a molecular weight of 334.46 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,5-diphenylbenzene is sourced from PubChem (CID 123998830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).