1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene

C56H44 — CID 57279966

IUPAC1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
SMILESC(=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C56H44/c1-7-19-45(20-8-1)31-37-51(38-32-46-21-9-2-10-22-46)53(41-34-48-25-13-4-14-26-48)56-44-40-52(39-33-47-23-11-3-12-24-47)54(42-35-49-27-15-5-16-28-49)55(56)43-36-50-29-17-6-18-30-50/h1-44H
InChIKeyONDKZIXCKOJQTB-UHFFFAOYSA-N
MW716.97 g/mol
LogP15.09
Rot. Bonds13

About 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene

1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene (PubChem CID 57279966) has the molecular formula C56H44 and a molecular weight of 716.97 g/mol. Its IUPAC name is 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
PubChem CID57279966
Molecular FormulaC56H44
Molecular Weight716.97 g/mol
Exact Mass716.34
IUPAC Name1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
SMILESC(=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C56H44/c1-7-19-45(20-8-1)31-37-51(38-32-46-21-9-2-10-22-46)53(41-34-48-25-13-4-14-26-48)56-44-40-52(39-33-47-23-11-3-12-24-47)54(42-35-49-27-15-5-16-28-49)55(56)43-36-50-29-17-6-18-30-50/h1-44H
InChIKeyONDKZIXCKOJQTB-UHFFFAOYSA-N
XLogP15.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.97
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 172791684
CID 172791684
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
1-[2,3-bis(2-phenylethenyl)phenyl]-4-phenylbuta-1,3-dien-2-amine
CID 173097180
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
4-(2-cyanoethenyl)-5-[2,3,4-tris(2-cyanoethenyl)phenyl]octa-2,4,6-trienedinitrile
CID 173449611
CID 67900431
CID 67900431
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
CID 137440291

Frequently Asked Questions

What is the IUPAC name of 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene?
The IUPAC name of 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene (CID 57279966) is 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene.
What is the SMILES notation for 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene?
The canonical SMILES for 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene is C(=Cc1ccccc1)C(C=Cc1ccccc1)=C(C=Cc1ccccc1)c1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.
What is the InChIKey of 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene?
The InChIKey is ONDKZIXCKOJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44/c1-7-19-45(20-8-1)31-37-51(38-32-46-21-9-2-10-22-46)53(41-34-48-25-13-4-14-26-48)56-44-40-52(39-33-47-23-11-3-12-24-47)54(42-35-49-27-15-5-16-28-49)55(56)43-36-50-29-17-6-18-30-50/h1-44H.
What are the key properties of 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene?
1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene has a molecular weight of 716.97 g/mol, XLogP of 15.09, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene is sourced from PubChem (CID 57279966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).