(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one

C34H24N2O2 — CID 6610966

IUPAC(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C/Nc1ccc(-c2ccc(N/C=C3\C(=O)C=Cc4ccccc43)cc2)cc1
InChIInChI=1S/C34H24N2O2/c37-33-19-13-25-5-1-3-7-29(25)31(33)21-35-27-15-9-23(10-16-27)24-11-17-28(18-12-24)36-22-32-30-8-4-2-6-26(30)14-20-34(32)38/h1-22,35-36H/b31-21-,32-22-
InChIKeyVIPZYCNQVCMWRQ-RYJWMXFHSA-N
MW492.58 g/mol
LogP7.45
Rot. Bonds5

About (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one

(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one (PubChem CID 6610966) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one.

Molecular Properties

Compound Name(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
PubChem CID6610966
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C/Nc1ccc(-c2ccc(N/C=C3\C(=O)C=Cc4ccccc43)cc2)cc1
InChIInChI=1S/C34H24N2O2/c37-33-19-13-25-5-1-3-7-29(25)31(33)21-35-27-15-9-23(10-16-27)24-11-17-28(18-12-24)36-22-32-30-8-4-2-6-26(30)14-20-34(32)38/h1-22,35-36H/b31-21-,32-22-
InChIKeyVIPZYCNQVCMWRQ-RYJWMXFHSA-N
XLogP7.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
CID 6121926
1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
CID 6850302
diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
CID 10791509
bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
CID 5479998
2,2-dimethyl-5-[[4-(4-phenylphenyl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537073
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
bis((2S)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]-3-phenylpropanoic acid);oxo(oxovanadiooxy)vanadium
CID 11251316
furan;naphthalene-1,2-dione
CID 157089682
5-methyl-4-[[4-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]phenyl]anilino]methylidene]-2-phenylpyrazol-3-one
CID 6833105
4-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-3H-1,3-thiazol-2-one
CID 3096049
naphthalene-1,2-dione diazide
CID 18668389

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one?
The IUPAC name of (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one (CID 6610966) is (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one.
What is the SMILES notation for (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one?
The canonical SMILES for (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one is O=C1C=Cc2ccccc2/C1=C/Nc1ccc(-c2ccc(N/C=C3\C(=O)C=Cc4ccccc43)cc2)cc1.
What is the InChIKey of (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one?
The InChIKey is VIPZYCNQVCMWRQ-RYJWMXFHSA-N. The full InChI is InChI=1S/C34H24N2O2/c37-33-19-13-25-5-1-3-7-29(25)31(33)21-35-27-15-9-23(10-16-27)24-11-17-28(18-12-24)36-22-32-30-8-4-2-6-26(30)14-20-34(32)38/h1-22,35-36H/b31-21-,32-22-.
What are the key properties of (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one?
(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one has a molecular weight of 492.58 g/mol, XLogP of 7.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one is sourced from PubChem (CID 6610966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).