1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene

C40H34 — CID 54234725

IUPAC1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene
SMILESCCc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2-c2ccccc2)c1CC
InChIInChI=1S/C40H34/c1-3-29-23-16-26-36(33(29)4-2)38-28-27-35(31-19-10-6-11-20-31)39(32-21-12-7-13-22-32)40(38)37-25-15-14-24-34(37)30-17-8-5-9-18-30/h5-28H,3-4H2,1-2H3
InChIKeyMDAUQVRJUCIPRS-UHFFFAOYSA-N
MW514.71 g/mol
LogP11.15
Rot. Bonds7

About 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene

1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene (PubChem CID 54234725) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene
PubChem CID54234725
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene
SMILESCCc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2-c2ccccc2)c1CC
InChIInChI=1S/C40H34/c1-3-29-23-16-26-36(33(29)4-2)38-28-27-35(31-19-10-6-11-20-31)39(32-21-12-7-13-22-32)40(38)37-25-15-14-24-34(37)30-17-8-5-9-18-30/h5-28H,3-4H2,1-2H3
InChIKeyMDAUQVRJUCIPRS-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
CID 175280836
1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
CID 173252545
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
3-(2,3-diethylphenyl)phenol
CID 101302379
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
1-methyl-4,8-diphenylazulene
CID 86056773
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
2-(2,3-diethylphenyl)-3-ethylphenol
CID 101302469

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene (CID 54234725) is 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene is CCc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2-c2ccccc2)c1CC.
What is the InChIKey of 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene?
The InChIKey is MDAUQVRJUCIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-3-29-23-16-26-36(33(29)4-2)38-28-27-35(31-19-10-6-11-20-31)39(32-21-12-7-13-22-32)40(38)37-25-15-14-24-34(37)30-17-8-5-9-18-30/h5-28H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene?
1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene has a molecular weight of 514.71 g/mol, XLogP of 11.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 54234725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).