1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene

C28H26O — CID 173252545

IUPAC1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
SMILESCCc1ccc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)c1CC
InChIInChI=1S/C28H26O/c1-3-21-17-20-27(28(26(21)4-2)23-11-7-5-8-12-23)22-15-18-25(19-16-22)29-24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3
InChIKeyGGIPIKMZZPQGKL-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.94
Rot. Bonds6

About 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene

1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene (PubChem CID 173252545) has the molecular formula C28H26O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
PubChem CID173252545
Molecular FormulaC28H26O
Molecular Weight378.52 g/mol
Exact Mass378.20
IUPAC Name1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
SMILESCCc1ccc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)c1CC
InChIInChI=1S/C28H26O/c1-3-21-17-20-27(28(26(21)4-2)23-11-7-5-8-12-23)22-15-18-25(19-16-22)29-24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3
InChIKeyGGIPIKMZZPQGKL-UHFFFAOYSA-N
XLogP7.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene?
The IUPAC name of 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene (CID 173252545) is 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene.
What is the SMILES notation for 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene?
The canonical SMILES for 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene is CCc1ccc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccccc2)c1CC.
What is the InChIKey of 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene?
The InChIKey is GGIPIKMZZPQGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O/c1-3-21-17-20-27(28(26(21)4-2)23-11-7-5-8-12-23)22-15-18-25(19-16-22)29-24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene?
1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene has a molecular weight of 378.52 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene is sourced from PubChem (CID 173252545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).