(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

C23H16N2O3 — CID 2225624

IUPAC(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H16N2O3/c26-21-19(22(27)25(23(28)24-21)17-6-2-1-3-7-17)13-16-12-11-15-10-9-14-5-4-8-18(16)20(14)15/h1-8,11-13H,9-10H2,(H,24,26,28)/b19-13-
InChIKeyIWMKIGYWGYFFMA-UYRXBGFRSA-N
MW368.39 g/mol
LogP3.60
Rot. Bonds2

About (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione

(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2225624) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID2225624
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H16N2O3/c26-21-19(22(27)25(23(28)24-21)17-6-2-1-3-7-17)13-16-12-11-15-10-9-14-5-4-8-18(16)20(14)15/h1-8,11-13H,9-10H2,(H,24,26,28)/b19-13-
InChIKeyIWMKIGYWGYFFMA-UYRXBGFRSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(5E)-1-pyridin-4-yl-5-[(4-pyrrolidin-1-ylnaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126399811
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1353448
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2201824
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1353230
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1353396
5-[(3-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873245
(2S)-2-[2-methoxy-6-[(E)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]propanoic acid
CID 126238719
5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 75137192
(5E)-1-phenyl-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6228822
(5E)-5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 91820818
methyl 4-[5-(naphthalen-1-ylmethylidene)-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
CID 1339140
(5E)-1-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6148901

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione (CID 2225624) is (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c3c(cccc13)CC2.
What is the InChIKey of (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IWMKIGYWGYFFMA-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21-19(22(27)25(23(28)24-21)17-6-2-1-3-7-17)13-16-12-11-15-10-9-14-5-4-8-18(16)20(14)15/h1-8,11-13H,9-10H2,(H,24,26,28)/b19-13-.
What are the key properties of (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione?
(5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 368.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,2-dihydroacenaphthylen-5-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2225624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).