(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one

C35H23N3O2 — CID 6121926

IUPAC(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C/Nc1ccc2cc3ccc(N/C=C4/C(=O)C=Cc5ccccc54)cc3nc2c1
InChIInChI=1S/C35H23N3O2/c39-34-15-11-22-5-1-3-7-28(22)30(34)20-36-26-13-9-24-17-25-10-14-27(19-33(25)38-32(24)18-26)37-21-31-29-8-4-2-6-23(29)12-16-35(31)40/h1-21,36-37H/b30-20-,31-21+
InChIKeyGWBIYXUSBPVIGP-IZDIRFCDSA-N
MW517.59 g/mol
LogP7.49
Rot. Bonds4

About (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one

(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one (PubChem CID 6121926) has the molecular formula C35H23N3O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one.

Molecular Properties

Compound Name(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
PubChem CID6121926
Molecular FormulaC35H23N3O2
Molecular Weight517.59 g/mol
Exact Mass517.18
IUPAC Name(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one
SMILESO=C1C=Cc2ccccc2/C1=C/Nc1ccc2cc3ccc(N/C=C4/C(=O)C=Cc5ccccc54)cc3nc2c1
InChIInChI=1S/C35H23N3O2/c39-34-15-11-22-5-1-3-7-28(22)30(34)20-36-26-13-9-24-17-25-10-14-27(19-33(25)38-32(24)18-26)37-21-31-29-8-4-2-6-23(29)12-16-35(31)40/h1-21,36-37H/b30-20-,31-21+
InChIKeyGWBIYXUSBPVIGP-IZDIRFCDSA-N
XLogP7.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[[4-[4-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]phenyl]anilino]methylidene]naphthalen-2-one
CID 6610966
1-[[2-[amino(hydroxy)methyl]hydrazinyl]methylidene]naphthalen-2-one;dioxovanadium
CID 6850302
bis(dimethyltin);bis(3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propanoic acid)
CID 5479998
diphenyltin;2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]acetic acid
CID 10791509
(1E)-1-(3,3-diphenylprop-2-enylidene)naphthalen-2-one
CID 59427156
(1E)-1-[(2-amino-4-hydroxy-1,3-thiazol-5-yl)methylidene]naphthalen-2-one
CID 135996792
1-[[4-hydroxy-2-(3-methylanilino)-1,3-thiazol-5-yl]methylidene]naphthalen-2-one
CID 1251052
1-[[tert-butyl(hydroxy)amino]methylidene]naphthalen-2-one
CID 173281078
5-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537735
1-[[5-hydroxy-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 814567
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
CID 135481408
bis((2S)-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]-3-phenylpropanoic acid);oxo(oxovanadiooxy)vanadium
CID 11251316

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one?
The IUPAC name of (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one (CID 6121926) is (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one.
What is the SMILES notation for (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one?
The canonical SMILES for (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one is O=C1C=Cc2ccccc2/C1=C/Nc1ccc2cc3ccc(N/C=C4/C(=O)C=Cc5ccccc54)cc3nc2c1.
What is the InChIKey of (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one?
The InChIKey is GWBIYXUSBPVIGP-IZDIRFCDSA-N. The full InChI is InChI=1S/C35H23N3O2/c39-34-15-11-22-5-1-3-7-28(22)30(34)20-36-26-13-9-24-17-25-10-14-27(19-33(25)38-32(24)18-26)37-21-31-29-8-4-2-6-23(29)12-16-35(31)40/h1-21,36-37H/b30-20-,31-21+.
What are the key properties of (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one?
(1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one has a molecular weight of 517.59 g/mol, XLogP of 7.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[[[6-[[(E)-(2-oxonaphthalen-1-ylidene)methyl]amino]acridin-3-yl]amino]methylidene]naphthalen-2-one is sourced from PubChem (CID 6121926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).