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

C90H87IN8O5S2Se5Si4 — CID 161182252

IUPAC10,10-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
SMILESCN1C(=O)C(=Cc2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.C[Si]1(C)c2ccccc2N(c2ccc(C=O)[se]2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc[se]2)c2ccccc21.C[Si]1(C)c2ccccc2Nc2ccccc21.Ic1ccc[se]1.c1cc[se]c1
InChIInChI=1S/C25H23N3O2SSeSi.C19H17NOSeSi.C18H17NSeSi.C14H15NSi.C6H8N2O2S.C4H3ISe.C4H4Se/c1-26-23(29)17(24(30)27(2)25(26)31)15-16-13-14-22(32-16)28-18-9-5-7-11-20(18)33(3,4)21-12-8-6-10-19(21)28;1-23(2)17-9-5-3-7-15(17)20(16-8-4-6-10-18(16)23)19-12-11-14(13-21)22-19;1-21(2)16-10-5-3-8-14(16)19(18-12-7-13-20-18)15-9-4-6-11-17(15)21;1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4;1-2-4-5-3-1/h5-15H,1-4H3;3-13H,1-2H3;3-13H,1-2H3;3-10,15H,1-2H3;3H2,1-2H3;1-3H;1-4H
InChIKeyUSPRWVHPYLNAMI-UHFFFAOYSA-N
MW2058.92 g/mol
LogP13.71
Rot. Bonds5

About 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

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 (PubChem CID 161182252) has the molecular formula C90H87IN8O5S2Se5Si4 and a molecular weight of 2058.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10-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
PubChem CID161182252
Molecular FormulaC90H87IN8O5S2Se5Si4
Molecular Weight2058.92 g/mol
Exact Mass2062.02
IUPAC Name10,10-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
SMILESCN1C(=O)C(=Cc2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.C[Si]1(C)c2ccccc2N(c2ccc(C=O)[se]2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc[se]2)c2ccccc21.C[Si]1(C)c2ccccc2Nc2ccccc21.Ic1ccc[se]1.c1cc[se]c1
InChIInChI=1S/C25H23N3O2SSeSi.C19H17NOSeSi.C18H17NSeSi.C14H15NSi.C6H8N2O2S.C4H3ISe.C4H4Se/c1-26-23(29)17(24(30)27(2)25(26)31)15-16-13-14-22(32-16)28-18-9-5-7-11-20(18)33(3,4)21-12-8-6-10-19(21)28;1-23(2)17-9-5-3-7-15(17)20(16-8-4-6-10-18(16)23)19-12-11-14(13-21)22-19;1-21(2)16-10-5-3-8-14(16)19(18-12-7-13-20-18)15-9-4-6-11-17(15)21;1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4;1-2-4-5-3-1/h5-15H,1-4H3;3-13H,1-2H3;3-13H,1-2H3;3-10,15H,1-2H3;3H2,1-2H3;1-3H;1-4H
InChIKeyUSPRWVHPYLNAMI-UHFFFAOYSA-N
XLogP13.71
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002058.92
LogP ≤ 513.71
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 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 with MolForge

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Related Compounds

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
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140963339
(5E)-1-methyl-5-[(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylselenophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 164809206
2-(2-anilino-3-pyridinyl)propan-2-ol;cyclohexatrienamine;5,5-dimethyl-10H-benzo[b][1,8]naphthyridine;5-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;5,5-dimethyl-10-selenophen-2-ylbenzo[b][1,8]naphthyridine;1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;2-iodoselenophene;10-(5-methoxyselenophen-2-yl)-5,5-dimethylbenzo[b][1,8]naphthyridine;methyl 2-anilinopyridine-3-carboxylate;methyl 2-bromopyridine-3-carboxylate
CID 161288907
1,3-dimethyl-2-selanylidene-5-[(7,7,13,13-tetramethyl-3-thia-1-aza-13-silapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8(20),9,11,14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-4,6-dione
CID 172506301
5-[[5-[10,10-di(propan-2-yl)benzo[b][1,4]benzazasilin-5-yl]selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821962
1,3-dimethyl-5-[(7,7,13,13-tetramethyl-3-thia-1-aza-13-silapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8(20),9,11,14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 164973971
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821941
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
(5E)-1-methyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 164809187
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
5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 14494633

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(=O)C(=Cc2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)[se]2)C(=O)N(C)C1=S.CN1C(=O)CC(=O)N(C)C1=S.C[Si]1(C)c2ccccc2N(c2ccc(C=O)[se]2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc[se]2)c2ccccc21.C[Si]1(C)c2ccccc2Nc2ccccc21.Ic1ccc[se]1.c1cc[se]c1.
What is the InChIKey of 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?
The InChIKey is USPRWVHPYLNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2SSeSi.C19H17NOSeSi.C18H17NSeSi.C14H15NSi.C6H8N2O2S.C4H3ISe.C4H4Se/c1-26-23(29)17(24(30)27(2)25(26)31)15-16-13-14-22(32-16)28-18-9-5-7-11-20(18)33(3,4)21-12-8-6-10-19(21)28;1-23(2)17-9-5-3-7-15(17)20(16-8-4-6-10-18(16)23)19-12-11-14(13-21)22-19;1-21(2)16-10-5-3-8-14(16)19(18-12-7-13-20-18)15-9-4-6-11-17(15)21;1-16(2)13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-7-4(9)3-5(10)8(2)6(7)11;5-4-2-1-3-6-4;1-2-4-5-3-1/h5-15H,1-4H3;3-13H,1-2H3;3-13H,1-2H3;3-10,15H,1-2H3;3H2,1-2H3;1-3H;1-4H.
What are the key properties of 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?
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 has a molecular weight of 2058.92 g/mol, XLogP of 13.71, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161182252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).