1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene

C27H22OS — CID 11090522

IUPAC1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene
SMILESCO/C(=C(/c1ccccc1)c1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22OS/c1-28-27(22-15-7-3-8-16-22)26(21-13-5-2-6-14-21)24-19-11-12-20-25(24)29-23-17-9-4-10-18-23/h2-20H,1H3/b27-26-
InChIKeyBPJKHQHXZKQOCA-RQZHXJHFSA-N
MW394.54 g/mol
LogP7.40
Rot. Bonds6

About 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene

1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene (PubChem CID 11090522) has the molecular formula C27H22OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene
PubChem CID11090522
Molecular FormulaC27H22OS
Molecular Weight394.54 g/mol
Exact Mass394.14
IUPAC Name1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene
SMILESCO/C(=C(/c1ccccc1)c1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H22OS/c1-28-27(22-15-7-3-8-16-22)26(21-13-5-2-6-14-21)24-19-11-12-20-25(24)29-23-17-9-4-10-18-23/h2-20H,1H3/b27-26-
InChIKeyBPJKHQHXZKQOCA-RQZHXJHFSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene?
The IUPAC name of 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene (CID 11090522) is 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene.
What is the SMILES notation for 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene?
The canonical SMILES for 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene is CO/C(=C(/c1ccccc1)c1ccccc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene?
The InChIKey is BPJKHQHXZKQOCA-RQZHXJHFSA-N. The full InChI is InChI=1S/C27H22OS/c1-28-27(22-15-7-3-8-16-22)26(21-13-5-2-6-14-21)24-19-11-12-20-25(24)29-23-17-9-4-10-18-23/h2-20H,1H3/b27-26-.
What are the key properties of 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene?
1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene has a molecular weight of 394.54 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methoxy-1,2-diphenylethenyl]-2-phenylsulfanylbenzene is sourced from PubChem (CID 11090522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).