1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene

C36H26O — CID 90004343

IUPAC1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
SMILESc1ccc(-c2ccc(Oc3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26O/c1-5-13-27(14-6-1)31-21-23-35(33(25-31)29-17-9-3-10-18-29)37-36-24-22-32(28-15-7-2-8-16-28)26-34(36)30-19-11-4-12-20-30/h1-26H
InChIKeyNQOVTLVZOUWROJ-UHFFFAOYSA-N
MW474.60 g/mol
LogP10.15
Rot. Bonds6

About 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene

1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene (PubChem CID 90004343) has the molecular formula C36H26O and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene.

Molecular Properties

Compound Name1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
PubChem CID90004343
Molecular FormulaC36H26O
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Name1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
SMILESc1ccc(-c2ccc(Oc3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H26O/c1-5-13-27(14-6-1)31-21-23-35(33(25-31)29-17-9-3-10-18-29)37-36-24-22-32(28-15-7-2-8-16-28)26-34(36)30-19-11-4-12-20-30/h1-26H
InChIKeyNQOVTLVZOUWROJ-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-diphenylphenyl) hydrogen carbonate
CID 121292233
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
(2,4-diphenylphenyl) acetate
CID 57057849
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
4-(4-phenoxy-3-phenylphenyl)benzene-1,3-diamine
CID 176653688

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene?
The IUPAC name of 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene (CID 90004343) is 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene.
What is the SMILES notation for 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene?
The canonical SMILES for 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene is c1ccc(-c2ccc(Oc3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene?
The InChIKey is NQOVTLVZOUWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O/c1-5-13-27(14-6-1)31-21-23-35(33(25-31)29-17-9-3-10-18-29)37-36-24-22-32(28-15-7-2-8-16-28)26-34(36)30-19-11-4-12-20-30/h1-26H.
What are the key properties of 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene?
1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene has a molecular weight of 474.60 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene is sourced from PubChem (CID 90004343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).