2,3-diethyl-1,4-diphenylbenzene

C22H22 — CID 59383229

IUPAC2,3-diethyl-1,4-diphenylbenzene
SMILESCCc1c(-c2ccccc2)ccc(-c2ccccc2)c1CC
InChIInChI=1S/C22H22/c1-3-19-20(4-2)22(18-13-9-6-10-14-18)16-15-21(19)17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3
InChIKeyFEPPNQVNINNPQW-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.15
Rot. Bonds4

About 2,3-diethyl-1,4-diphenylbenzene

2,3-diethyl-1,4-diphenylbenzene (PubChem CID 59383229) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,3-diethyl-1,4-diphenylbenzene.

Molecular Properties

Compound Name2,3-diethyl-1,4-diphenylbenzene
PubChem CID59383229
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2,3-diethyl-1,4-diphenylbenzene
SMILESCCc1c(-c2ccccc2)ccc(-c2ccccc2)c1CC
InChIInChI=1S/C22H22/c1-3-19-20(4-2)22(18-13-9-6-10-14-18)16-15-21(19)17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3
InChIKeyFEPPNQVNINNPQW-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
CID 173399247
2,6-diethyl-3-phenylphenol
CID 101302345
bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium
CID 66871039
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
4-[(2,6-diethyl-3-phenylphenyl)disulfanyl]-3,5-diethyl-6-phenylbenzene-1,2-dithiol
CID 88639395
2,3,6-triethyl-5-phenylphenol
CID 101302393

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1,4-diphenylbenzene?
The IUPAC name of 2,3-diethyl-1,4-diphenylbenzene (CID 59383229) is 2,3-diethyl-1,4-diphenylbenzene.
What is the SMILES notation for 2,3-diethyl-1,4-diphenylbenzene?
The canonical SMILES for 2,3-diethyl-1,4-diphenylbenzene is CCc1c(-c2ccccc2)ccc(-c2ccccc2)c1CC.
What is the InChIKey of 2,3-diethyl-1,4-diphenylbenzene?
The InChIKey is FEPPNQVNINNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-19-20(4-2)22(18-13-9-6-10-14-18)16-15-21(19)17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-1,4-diphenylbenzene?
2,3-diethyl-1,4-diphenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1,4-diphenylbenzene is sourced from PubChem (CID 59383229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).