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

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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).