(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine

C31H29NO2S — CID 135140978

IUPAC(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(/C(=C\N)SC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29NO2S/c1-33-27-17-13-25(14-18-27)31(26-15-19-28(34-2)20-16-26)30(23-7-5-4-6-8-23)24-11-9-22(10-12-24)29(21-32)35-3/h4-21H,32H2,1-3H3/b29-21+
InChIKeyAXBGZYSFIOAGRX-XHLNEMQHSA-N
MW479.65 g/mol
LogP7.33
Rot. Bonds8

About (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine

(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine (PubChem CID 135140978) has the molecular formula C31H29NO2S and a molecular weight of 479.65 g/mol. Its IUPAC name is (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine.

Molecular Properties

Compound Name(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine
PubChem CID135140978
Molecular FormulaC31H29NO2S
Molecular Weight479.65 g/mol
Exact Mass479.19
IUPAC Name(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(/C(=C\N)SC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29NO2S/c1-33-27-17-13-25(14-18-27)31(26-15-19-28(34-2)20-16-26)30(23-7-5-4-6-8-23)24-11-9-22(10-12-24)29(21-32)35-3/h4-21H,32H2,1-3H3/b29-21+
InChIKeyAXBGZYSFIOAGRX-XHLNEMQHSA-N
XLogP7.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
CID 10444427
1-[(Z)-3-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylprop-2-enyl]pyrrolidine
CID 12590222
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
4-[(E)-2-(4-hydroxyphenyl)-1,2-diphenylethenyl]phenol;methane;[4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenyl]methanol
CID 158056261
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine?
The IUPAC name of (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine (CID 135140978) is (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine.
What is the SMILES notation for (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine?
The canonical SMILES for (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine is COc1ccc(C(=C(c2ccccc2)c2ccc(/C(=C\N)SC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine?
The InChIKey is AXBGZYSFIOAGRX-XHLNEMQHSA-N. The full InChI is InChI=1S/C31H29NO2S/c1-33-27-17-13-25(14-18-27)31(26-15-19-28(34-2)20-16-26)30(23-7-5-4-6-8-23)24-11-9-22(10-12-24)29(21-32)35-3/h4-21H,32H2,1-3H3/b29-21+.
What are the key properties of (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine?
(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine has a molecular weight of 479.65 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine is sourced from PubChem (CID 135140978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).