1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde

C78H67IN8O5S2Se4 — CID 158270490

IUPAC1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde
SMILESCN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.Ic1ccc[se]1.O=Cc1ccc(N(c2ccccc2)c2ccccc2)[se]1.c1ccc(N(c2ccccc2)c2ccc[se]2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2SSe.C17H13NOSe.C16H13NSe.C12H11N.C6H8N2O2S.C4H3ISe/c1-24-21(27)19(22(28)25(2)23(24)29)15-18-13-14-20(30-18)26(16-9-5-3-6-10-16)17-11-7-4-8-12-17;19-13-16-11-12-17(20-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4/h3-15H,1-2H3;1-13H;1-13H;1-10,13H;3H2,1-2H3;1-3H
InChIKeyGIYUWNLEKHDKSO-UHFFFAOYSA-N
MW1703.32 g/mol
LogP16.42
Rot. Bonds13

About 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde

1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde (PubChem CID 158270490) has the molecular formula C78H67IN8O5S2Se4 and a molecular weight of 1703.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde
PubChem CID158270490
Molecular FormulaC78H67IN8O5S2Se4
Molecular Weight1703.32 g/mol
Exact Mass1706.04
IUPAC Name1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde
SMILESCN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.Ic1ccc[se]1.O=Cc1ccc(N(c2ccccc2)c2ccccc2)[se]1.c1ccc(N(c2ccccc2)c2ccc[se]2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2SSe.C17H13NOSe.C16H13NSe.C12H11N.C6H8N2O2S.C4H3ISe/c1-24-21(27)19(22(28)25(2)23(24)29)15-18-13-14-20(30-18)26(16-9-5-3-6-10-16)17-11-7-4-8-12-17;19-13-16-11-12-17(20-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4/h3-15H,1-2H3;1-13H;1-13H;1-10,13H;3H2,1-2H3;1-3H
InChIKeyGIYUWNLEKHDKSO-UHFFFAOYSA-N
XLogP16.42
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001703.32
LogP ≤ 516.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde with MolForge

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Related Compounds

(5E)-1-methyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 164809187
10,10-dimethyl-5H-benzo[b][1,4]benzazasiline;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophene-2-carbaldehyde;5-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;10,10-dimethyl-5-selenophen-2-ylbenzo[b][1,4]benzazasiline;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;2-iodoselenophene;selenophene
CID 161182252
1,3-dimethyl-5-[[5-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140856950
1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 159670446
1,3-dimethyl-5-[[5-(2-methyl-N-(2-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140856942
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140963339
5-(anthracen-9-ylmethylidene)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3897593
2-[[5-(N-pyrimidin-2-ylanilino)selenophen-2-yl]methylidene]indene-1,3-dione
CID 140813488
1,3-dimethyl-5-[[5-(N-methylanilino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 51058691
5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21215560
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
methyl 5-(N-phenylanilino)selenophene-2-carboxylate
CID 11302720

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde (CID 158270490) is 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde is CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.Ic1ccc[se]1.O=Cc1ccc(N(c2ccccc2)c2ccccc2)[se]1.c1ccc(N(c2ccccc2)c2ccc[se]2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde?
The InChIKey is GIYUWNLEKHDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2SSe.C17H13NOSe.C16H13NSe.C12H11N.C6H8N2O2S.C4H3ISe/c1-24-21(27)19(22(28)25(2)23(24)29)15-18-13-14-20(30-18)26(16-9-5-3-6-10-16)17-11-7-4-8-12-17;19-13-16-11-12-17(20-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4/h3-15H,1-2H3;1-13H;1-13H;1-10,13H;3H2,1-2H3;1-3H.
What are the key properties of 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde?
1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde has a molecular weight of 1703.32 g/mol, XLogP of 16.42, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;N,N-diphenylselenophen-2-amine;2-iodoselenophene;N-phenylaniline;5-(N-phenylanilino)selenophene-2-carbaldehyde is sourced from PubChem (CID 158270490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).