(1,2-diphenoxy-1,2,2-triphenylethyl)benzene

C38H30O2 — CID 10164874

IUPAC(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
SMILESc1ccc(OC(c2ccccc2)(c2ccccc2)C(Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30O2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,39-35-27-15-5-16-28-35)38(33-23-11-3-12-24-33,34-25-13-4-14-26-34)40-36-29-17-6-18-30-36/h1-30H
InChIKeyARJBLMGEDUINDZ-UHFFFAOYSA-N
MW518.66 g/mol
LogP9.03
Rot. Bonds9

About (1,2-diphenoxy-1,2,2-triphenylethyl)benzene

(1,2-diphenoxy-1,2,2-triphenylethyl)benzene (PubChem CID 10164874) has the molecular formula C38H30O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is (1,2-diphenoxy-1,2,2-triphenylethyl)benzene.

Molecular Properties

Compound Name(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
PubChem CID10164874
Molecular FormulaC38H30O2
Molecular Weight518.66 g/mol
Exact Mass518.22
IUPAC Name(1,2-diphenoxy-1,2,2-triphenylethyl)benzene
SMILESc1ccc(OC(c2ccccc2)(c2ccccc2)C(Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H30O2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,39-35-27-15-5-16-28-35)38(33-23-11-3-12-24-33,34-25-13-4-14-26-34)40-36-29-17-6-18-30-36/h1-30H
InChIKeyARJBLMGEDUINDZ-UHFFFAOYSA-N
XLogP9.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2-diphenoxy-1,2,2-triphenylethyl)benzene?
The IUPAC name of (1,2-diphenoxy-1,2,2-triphenylethyl)benzene (CID 10164874) is (1,2-diphenoxy-1,2,2-triphenylethyl)benzene.
What is the SMILES notation for (1,2-diphenoxy-1,2,2-triphenylethyl)benzene?
The canonical SMILES for (1,2-diphenoxy-1,2,2-triphenylethyl)benzene is c1ccc(OC(c2ccccc2)(c2ccccc2)C(Oc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1,2-diphenoxy-1,2,2-triphenylethyl)benzene?
The InChIKey is ARJBLMGEDUINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,39-35-27-15-5-16-28-35)38(33-23-11-3-12-24-33,34-25-13-4-14-26-34)40-36-29-17-6-18-30-36/h1-30H.
What are the key properties of (1,2-diphenoxy-1,2,2-triphenylethyl)benzene?
(1,2-diphenoxy-1,2,2-triphenylethyl)benzene has a molecular weight of 518.66 g/mol, XLogP of 9.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diphenoxy-1,2,2-triphenylethyl)benzene is sourced from PubChem (CID 10164874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).