7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one

C29H21NO2 — CID 173453043

IUPAC7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one
SMILESO=c1ccc2ccc(C(=Cc3ccccc3)N(c3ccccc3)c3ccccc3)cc2o1
InChIInChI=1S/C29H21NO2/c31-29-19-18-23-16-17-24(21-28(23)32-29)27(20-22-10-4-1-5-11-22)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyDMSXDLOHNAUHQF-UHFFFAOYSA-N
MW415.49 g/mol
LogP7.13
Rot. Bonds5

About 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one

7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one (PubChem CID 173453043) has the molecular formula C29H21NO2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one.

Molecular Properties

Compound Name7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one
PubChem CID173453043
Molecular FormulaC29H21NO2
Molecular Weight415.49 g/mol
Exact Mass415.16
IUPAC Name7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one
SMILESO=c1ccc2ccc(C(=Cc3ccccc3)N(c3ccccc3)c3ccccc3)cc2o1
InChIInChI=1S/C29H21NO2/c31-29-19-18-23-16-17-24(21-28(23)32-29)27(20-22-10-4-1-5-11-22)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyDMSXDLOHNAUHQF-UHFFFAOYSA-N
XLogP7.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
(2-oxochromen-7-yl)-diphenylsulfanium chloride
CID 23054261
chromen-2-one;bis(prop-2-enoic acid)
CID 175490612
chromen-2-one;copper
CID 175033656
7-aminochromen-2-one;ethane
CID 166456004
acetic acid;7-hydroxychromen-2-one
CID 88810969
4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline
CID 175318072
1-N,4-N-bis[1,2-bis(4-methylphenyl)ethenyl]-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 66614363
6,7-dihydroxychromen-2-one
CID 5281416
7-[(E)-(methylhydrazinylidene)methyl]chromen-2-one
CID 10397938
7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210

Frequently Asked Questions

What is the IUPAC name of 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one?
The IUPAC name of 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one (CID 173453043) is 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one.
What is the SMILES notation for 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one?
The canonical SMILES for 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one is O=c1ccc2ccc(C(=Cc3ccccc3)N(c3ccccc3)c3ccccc3)cc2o1.
What is the InChIKey of 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one?
The InChIKey is DMSXDLOHNAUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO2/c31-29-19-18-23-16-17-24(21-28(23)32-29)27(20-22-10-4-1-5-11-22)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H.
What are the key properties of 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one?
7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one has a molecular weight of 415.49 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-phenyl-1-(N-phenylanilino)ethenyl]chromen-2-one is sourced from PubChem (CID 173453043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).