1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene

C42H34O — CID 151247220

IUPAC1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene
SMILESC=Cc1cc(Oc2cc(C=C)c(C=C)c(C=C)c2C=C=Cc2ccccc2)c(C=C=Cc2ccccc2)c(C=C)c1C=C
InChIInChI=1S/C42H34O/c1-7-33-29-41(39(37(11-5)35(33)9-3)27-19-25-31-21-15-13-16-22-31)43-42-30-34(8-2)36(10-4)38(12-6)40(42)28-20-26-32-23-17-14-18-24-32/h7-18,21-30H,1-6H2
InChIKeyNROGHOQYQPWTEY-UHFFFAOYSA-N
MW554.73 g/mol
LogP11.99
Rot. Bonds12

About 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene

1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene (PubChem CID 151247220) has the molecular formula C42H34O and a molecular weight of 554.73 g/mol. Its IUPAC name is 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene.

Molecular Properties

Compound Name1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene
PubChem CID151247220
Molecular FormulaC42H34O
Molecular Weight554.73 g/mol
Exact Mass554.26
IUPAC Name1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene
SMILESC=Cc1cc(Oc2cc(C=C)c(C=C)c(C=C)c2C=C=Cc2ccccc2)c(C=C=Cc2ccccc2)c(C=C)c1C=C
InChIInChI=1S/C42H34O/c1-7-33-29-41(39(37(11-5)35(33)9-3)27-19-25-31-21-15-13-16-22-31)43-42-30-34(8-2)36(10-4)38(12-6)40(42)28-20-26-32-23-17-14-18-24-32/h7-18,21-30H,1-6H2
InChIKeyNROGHOQYQPWTEY-UHFFFAOYSA-N
XLogP11.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Riccardin D
CID 11510446
Benzyl 2-naphthyl ether
CID 123080
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Riccardin C
CID 10070992
Benzo(kl)xanthene
CID 67456
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
1-Phenoxy-4-phenylbenzene
CID 77986
Naphthalene, 1-(phenylmethoxy)-
CID 136404
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
1-Methoxyphenanthrene
CID 43547

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene?
The IUPAC name of 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene (CID 151247220) is 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene.
What is the SMILES notation for 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene?
The canonical SMILES for 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene is C=Cc1cc(Oc2cc(C=C)c(C=C)c(C=C)c2C=C=Cc2ccccc2)c(C=C=Cc2ccccc2)c(C=C)c1C=C.
What is the InChIKey of 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene?
The InChIKey is NROGHOQYQPWTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O/c1-7-33-29-41(39(37(11-5)35(33)9-3)27-19-25-31-21-15-13-16-22-31)43-42-30-34(8-2)36(10-4)38(12-6)40(42)28-20-26-32-23-17-14-18-24-32/h7-18,21-30H,1-6H2.
What are the key properties of 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene?
1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene has a molecular weight of 554.73 g/mol, XLogP of 11.99, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene is sourced from PubChem (CID 151247220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).