(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one

C31H23NO — CID 6151728

IUPAC(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H23NO/c33-31(27-19-18-25-9-7-8-10-26(25)23-27)22-17-24-15-20-30(21-16-24)32(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H/b22-17+
InChIKeyYPOMOZFTFHPKSK-OQKWZONESA-N
MW425.53 g/mol
LogP8.21
Rot. Bonds6

About (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one

(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one (PubChem CID 6151728) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
PubChem CID6151728
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H23NO/c33-31(27-19-18-25-9-7-8-10-26(25)23-27)22-17-24-15-20-30(21-16-24)32(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H/b22-17+
InChIKeyYPOMOZFTFHPKSK-OQKWZONESA-N
XLogP8.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
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(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
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1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
2-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenoxy]acetate
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3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
3-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one (CID 6151728) is (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is O=C(/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
The InChIKey is YPOMOZFTFHPKSK-OQKWZONESA-N. The full InChI is InChI=1S/C31H23NO/c33-31(27-19-18-25-9-7-8-10-26(25)23-27)22-17-24-15-20-30(21-16-24)32(28-11-3-1-4-12-28)29-13-5-2-6-14-29/h1-23H/b22-17+.
What are the key properties of (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one has a molecular weight of 425.53 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 6151728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).