1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene

C36H32S2 — CID 134929405

IUPAC1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene
SMILESCC(/C(=C/CSC(Sc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32S2/c1-28(29-14-6-2-7-15-29)35(32-18-10-4-11-19-32)26-27-37-36(38-34-20-12-5-13-21-34)33-24-22-31(23-25-33)30-16-8-3-9-17-30/h2-26,28,36H,27H2,1H3/b35-26-
InChIKeyNUSHPFHDNBZDDW-JYUHDHNASA-N
MW528.79 g/mol
LogP10.77
Rot. Bonds10

About 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene

1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene (PubChem CID 134929405) has the molecular formula C36H32S2 and a molecular weight of 528.79 g/mol. Its IUPAC name is 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene
PubChem CID134929405
Molecular FormulaC36H32S2
Molecular Weight528.79 g/mol
Exact Mass528.19
IUPAC Name1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene
SMILESCC(/C(=C/CSC(Sc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32S2/c1-28(29-14-6-2-7-15-29)35(32-18-10-4-11-19-32)26-27-37-36(38-34-20-12-5-13-21-34)33-24-22-31(23-25-33)30-16-8-3-9-17-30/h2-26,28,36H,27H2,1H3/b35-26-
InChIKeyNUSHPFHDNBZDDW-JYUHDHNASA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.79
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene?
The IUPAC name of 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene (CID 134929405) is 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene.
What is the SMILES notation for 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene?
The canonical SMILES for 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene is CC(/C(=C/CSC(Sc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene?
The InChIKey is NUSHPFHDNBZDDW-JYUHDHNASA-N. The full InChI is InChI=1S/C36H32S2/c1-28(29-14-6-2-7-15-29)35(32-18-10-4-11-19-32)26-27-37-36(38-34-20-12-5-13-21-34)33-24-22-31(23-25-33)30-16-8-3-9-17-30/h2-26,28,36H,27H2,1H3/b35-26-.
What are the key properties of 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene?
1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene has a molecular weight of 528.79 g/mol, XLogP of 10.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-3,4-diphenylpent-2-enyl]sulfanyl-phenylsulfanylmethyl]-4-phenylbenzene is sourced from PubChem (CID 134929405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).