3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione

C32H21NO3 — CID 72639477

IUPAC3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione
SMILESO=C1Oc2cc3ccccc3cc2C(=O)C1=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H21NO3/c34-31-28-20-23-9-7-8-10-24(23)21-30(28)36-32(35)29(31)19-22-15-17-27(18-16-22)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-21H
InChIKeySKNAMTYPQHOJSE-UHFFFAOYSA-N
MW467.52 g/mol
LogP7.49
Rot. Bonds4

About 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione

3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione (PubChem CID 72639477) has the molecular formula C32H21NO3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione.

Molecular Properties

Compound Name3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione
PubChem CID72639477
Molecular FormulaC32H21NO3
Molecular Weight467.52 g/mol
Exact Mass467.15
IUPAC Name3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione
SMILESO=C1Oc2cc3ccccc3cc2C(=O)C1=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H21NO3/c34-31-28-20-23-9-7-8-10-24(23)21-30(28)36-32(35)29(31)19-22-15-17-27(18-16-22)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-21H
InChIKeySKNAMTYPQHOJSE-UHFFFAOYSA-N
XLogP7.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(N-phenylanilino)phenyl]methylidene]indene-1,3-dione
CID 22982112
2-[[4-(N-[4-[4-(N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]methylidene]indene-1,3-dione
CID 20617859
2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(4-methyl-N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione;2-[[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 161266677
(3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
CID 168735929
2-[[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]methylidene]indene-1,3-dione
CID 51348392
3-methylidenebenzo[g]chromene-2,4-dione
CID 21301843
2-[[5-(N-phenylanilino)furan-2-yl]methylidene]cyclopenta[b]anthracene-1,3-dione
CID 154936229
(2Z)-2-benzylidenebenzo[g][1,4]benzodioxin-3-one
CID 102402209
2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione
CID 155243858
2-[[6-(4-phenyl-N-(2,4,6-trimethylphenyl)anilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 58175017
2-[[4-[N-benzyl-4-[N-benzyl-4-[(1,3-dioxoinden-2-ylidene)methyl]anilino]anilino]phenyl]methylidene]indene-1,3-dione
CID 59994776
1,3-diphenyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15597362

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione?
The IUPAC name of 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione (CID 72639477) is 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione.
What is the SMILES notation for 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione?
The canonical SMILES for 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione is O=C1Oc2cc3ccccc3cc2C(=O)C1=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione?
The InChIKey is SKNAMTYPQHOJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO3/c34-31-28-20-23-9-7-8-10-24(23)21-30(28)36-32(35)29(31)19-22-15-17-27(18-16-22)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-21H.
What are the key properties of 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione?
3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione has a molecular weight of 467.52 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(N-phenylanilino)phenyl]methylidene]benzo[g]chromene-2,4-dione is sourced from PubChem (CID 72639477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).