(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene

C43H46S4 — CID 143687875

IUPAC(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene
SMILESC/C=C\CC.CC/C=C\CC.Cc1ccc(/C=C/c2ccc3c(c2)S/C(=C2\Sc4ccc(/C=C/c5ccc(C)cc5)cc4S2)S3)cc1
InChIInChI=1S/C32H24S4.C6H12.C5H10/c1-21-3-7-23(8-4-21)11-13-25-15-17-27-29(19-25)35-31(33-27)32-34-28-18-16-26(20-30(28)36-32)14-12-24-9-5-22(2)6-10-24;1-3-5-6-4-2;1-3-5-4-2/h3-20H,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3/b13-11+,14-12+,32-31+;6-5-;5-3-
InChIKeyCCJDHYDHARKGCW-ZWJRGDHMSA-N
MW691.11 g/mol
LogP15.20
Rot. Bonds7

About (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene

(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene (PubChem CID 143687875) has the molecular formula C43H46S4 and a molecular weight of 691.11 g/mol. Its IUPAC name is (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene.

Molecular Properties

Compound Name(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene
PubChem CID143687875
Molecular FormulaC43H46S4
Molecular Weight691.11 g/mol
Exact Mass690.25
IUPAC Name(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene
SMILESC/C=C\CC.CC/C=C\CC.Cc1ccc(/C=C/c2ccc3c(c2)S/C(=C2\Sc4ccc(/C=C/c5ccc(C)cc5)cc4S2)S3)cc1
InChIInChI=1S/C32H24S4.C6H12.C5H10/c1-21-3-7-23(8-4-21)11-13-25-15-17-27-29(19-25)35-31(33-27)32-34-28-18-16-26(20-30(28)36-32)14-12-24-9-5-22(2)6-10-24;1-3-5-6-4-2;1-3-5-4-2/h3-20H,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3/b13-11+,14-12+,32-31+;6-5-;5-3-
InChIKeyCCJDHYDHARKGCW-ZWJRGDHMSA-N
XLogP15.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.11
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene with MolForge

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Related Compounds

1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
CID 139748692
(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene
CID 143951034
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
(Z)-1-[2-amino-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]pent-3-en-1-ol
CID 148732375
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
5,5-dimethyl-3,7-bis[(E)-2-(4-methylphenyl)ethenyl]benzo[b][1]benzosilole
CID 59500118
1-methyl-4-[(4Z,6Z)-octa-1,4,6-trienyl]benzene
CID 145008709
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene?
The IUPAC name of (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene (CID 143687875) is (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene.
What is the SMILES notation for (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene?
The canonical SMILES for (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene is C/C=C\CC.CC/C=C\CC.Cc1ccc(/C=C/c2ccc3c(c2)S/C(=C2\Sc4ccc(/C=C/c5ccc(C)cc5)cc4S2)S3)cc1.
What is the InChIKey of (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene?
The InChIKey is CCJDHYDHARKGCW-ZWJRGDHMSA-N. The full InChI is InChI=1S/C32H24S4.C6H12.C5H10/c1-21-3-7-23(8-4-21)11-13-25-15-17-27-29(19-25)35-31(33-27)32-34-28-18-16-26(20-30(28)36-32)14-12-24-9-5-22(2)6-10-24;1-3-5-6-4-2;1-3-5-4-2/h3-20H,1-2H3;5-6H,3-4H2,1-2H3;3,5H,4H2,1-2H3/b13-11+,14-12+,32-31+;6-5-;5-3-.
What are the key properties of (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene?
(Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene has a molecular weight of 691.11 g/mol, XLogP of 15.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene;(2E)-5-[(E)-2-(4-methylphenyl)ethenyl]-2-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,3-benzodithiol-2-ylidene]-1,3-benzodithiole;(Z)-pent-2-ene is sourced from PubChem (CID 143687875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).