(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one

C34H28O4 — CID 11060168

IUPAC(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one
SMILESCOc1ccc(C(=C/C(=C2\C=CC(=O)c3ccccc32)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H28O4/c1-36-26-14-8-23(9-15-26)32(24-10-16-27(37-2)17-11-24)22-33(25-12-18-28(38-3)19-13-25)30-20-21-34(35)31-7-5-4-6-29(30)31/h4-22H,1-3H3/b33-30-
InChIKeyFVSPQBBFBWXETJ-MEIHLTSWSA-N
MW500.59 g/mol
LogP7.51
Rot. Bonds7

About (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one

(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one (PubChem CID 11060168) has the molecular formula C34H28O4 and a molecular weight of 500.59 g/mol. Its IUPAC name is (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one
PubChem CID11060168
Molecular FormulaC34H28O4
Molecular Weight500.59 g/mol
Exact Mass500.20
IUPAC Name(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one
SMILESCOc1ccc(C(=C/C(=C2\C=CC(=O)c3ccccc32)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H28O4/c1-36-26-14-8-23(9-15-26)32(24-10-16-27(37-2)17-11-24)22-33(25-12-18-28(38-3)19-13-25)30-20-21-34(35)31-7-5-4-6-29(30)31/h4-22H,1-3H3/b33-30-
InChIKeyFVSPQBBFBWXETJ-MEIHLTSWSA-N
XLogP7.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.59
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-[(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enylidene]naphthalen-2-one
CID 177418640
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethane;naphthalene-1,4-dione
CID 54088717
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
6-methoxyanthracene-1,4-dione
CID 70804223
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol
CID 46918589
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
CID 59672036
CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one?
The IUPAC name of (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one (CID 11060168) is (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one.
What is the SMILES notation for (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one?
The canonical SMILES for (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one is COc1ccc(C(=C/C(=C2\C=CC(=O)c3ccccc32)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one?
The InChIKey is FVSPQBBFBWXETJ-MEIHLTSWSA-N. The full InChI is InChI=1S/C34H28O4/c1-36-26-14-8-23(9-15-26)32(24-10-16-27(37-2)17-11-24)22-33(25-12-18-28(38-3)19-13-25)30-20-21-34(35)31-7-5-4-6-29(30)31/h4-22H,1-3H3/b33-30-.
What are the key properties of (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one?
(4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one has a molecular weight of 500.59 g/mol, XLogP of 7.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[1,3,3-tris(4-methoxyphenyl)prop-2-enylidene]naphthalen-1-one is sourced from PubChem (CID 11060168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).