(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione

C32H30OS — CID 158143687

IUPAC(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
SMILESCOc1ccc(/C(=C(/CCCC(=S)Cc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30OS/c1-33-29-22-20-28(21-23-29)32(27-16-9-4-10-17-27)31(26-14-7-3-8-15-26)19-11-18-30(34)24-25-12-5-2-6-13-25/h2-10,12-17,20-23H,11,18-19,24H2,1H3/b32-31-
InChIKeyYAZHBUJUEKQTDY-MVJHLKBCSA-N
MW462.66 g/mol
LogP8.44
Rot. Bonds10

About (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione

(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione (PubChem CID 158143687) has the molecular formula C32H30OS and a molecular weight of 462.66 g/mol. Its IUPAC name is (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione.

Molecular Properties

Compound Name(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
PubChem CID158143687
Molecular FormulaC32H30OS
Molecular Weight462.66 g/mol
Exact Mass462.20
IUPAC Name(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
SMILESCOc1ccc(/C(=C(/CCCC(=S)Cc2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H30OS/c1-33-29-22-20-28(21-23-29)32(27-16-9-4-10-17-27)31(26-14-7-3-8-15-26)19-11-18-30(34)24-25-12-5-2-6-13-25/h2-10,12-17,20-23H,11,18-19,24H2,1H3/b32-31-
InChIKeyYAZHBUJUEKQTDY-MVJHLKBCSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione with MolForge

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Related Compounds

6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
CID 101266071
1-(4-methoxyphenyl)-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]thiourea
CID 118887605
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-(111C)methoxy-4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylhex-1-enyl]benzene
CID 46934876
N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130276115
1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873032
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
4,5,5-tris(4-methoxyphenyl)pent-4-enenitrile
CID 10340893
[3-methoxy-5-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]boronic acid
CID 164810567

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione?
The IUPAC name of (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione (CID 158143687) is (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione.
What is the SMILES notation for (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione?
The canonical SMILES for (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione is COc1ccc(/C(=C(/CCCC(=S)Cc2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione?
The InChIKey is YAZHBUJUEKQTDY-MVJHLKBCSA-N. The full InChI is InChI=1S/C32H30OS/c1-33-29-22-20-28(21-23-29)32(27-16-9-4-10-17-27)31(26-14-7-3-8-15-26)19-11-18-30(34)24-25-12-5-2-6-13-25/h2-10,12-17,20-23H,11,18-19,24H2,1H3/b32-31-.
What are the key properties of (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione?
(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione has a molecular weight of 462.66 g/mol, XLogP of 8.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione is sourced from PubChem (CID 158143687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).