cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene

C92H63Cl2IN3O6S4Se6+ — CID 160633310

IUPACcyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene
SMILESCCO.ClCCl.IC1=[C+]C=C[Se]1.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1CC(=O)c2cc3[se]ccc3cc21.O=Cc1ccc(N2c3ccccc3Sc3ccccc32)[se]1.c1c[se]c(N2c3ccccc3Sc3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C28H15NO2SSe2.C17H11NOSSe.C16H11NSSe.C13H10S.C11H6O2Se.C4H2ISe.C2H6O.CH2Cl2/c30-27-18-13-16-11-12-33-25(16)15-19(18)28(31)20(27)14-17-9-10-26(34-17)29-21-5-1-3-7-23(21)32-24-8-4-2-6-22(24)29;19-11-12-9-10-17(21-12)18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18;1-3-8-14-12(6-1)17(16-10-5-11-19-16)13-7-2-4-9-15(13)18-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;12-9-5-10(13)8-4-11-6(1-2-14-11)3-7(8)9;5-4-2-1-3-6-4;1-2-3;2-1-3/h1-15H;1-11H;1-11H;1-8H,9H2;1-4H,5H2;1,3H;3H,2H2,1H3;1H2/q;;;;;+1;;/b20-14+;;;;;;;
InChIKeyRIEYDPNYLUFXQI-SHFJDDDUSA-N
MW2106.37 g/mol
LogP23.64
Rot. Bonds5

About cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene

cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene (PubChem CID 160633310) has the molecular formula C92H63Cl2IN3O6S4Se6+ and a molecular weight of 2106.37 g/mol. Its IUPAC name is cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene.

Molecular Properties

Compound Namecyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene
PubChem CID160633310
Molecular FormulaC92H63Cl2IN3O6S4Se6+
Molecular Weight2106.37 g/mol
Exact Mass2109.70
IUPAC Namecyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene
SMILESCCO.ClCCl.IC1=[C+]C=C[Se]1.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1CC(=O)c2cc3[se]ccc3cc21.O=Cc1ccc(N2c3ccccc3Sc3ccccc32)[se]1.c1c[se]c(N2c3ccccc3Sc3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C28H15NO2SSe2.C17H11NOSSe.C16H11NSSe.C13H10S.C11H6O2Se.C4H2ISe.C2H6O.CH2Cl2/c30-27-18-13-16-11-12-33-25(16)15-19(18)28(31)20(27)14-17-9-10-26(34-17)29-21-5-1-3-7-23(21)32-24-8-4-2-6-22(24)29;19-11-12-9-10-17(21-12)18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18;1-3-8-14-12(6-1)17(16-10-5-11-19-16)13-7-2-4-9-15(13)18-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;12-9-5-10(13)8-4-11-6(1-2-14-11)3-7(8)9;5-4-2-1-3-6-4;1-2-3;2-1-3/h1-15H;1-11H;1-11H;1-8H,9H2;1-4H,5H2;1,3H;3H,2H2,1H3;1H2/q;;;;;+1;;/b20-14+;;;;;;;
InChIKeyRIEYDPNYLUFXQI-SHFJDDDUSA-N
XLogP23.64
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.37
LogP ≤ 523.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene with MolForge

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Related Compounds

6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzothiole-5,7-dione
CID 140822012
6-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;(6E)-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;6-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzoselenole-5,7-dione;(6E)-6-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;(6E)-6-[(5-pyrido[3,2-b][1,4]benzothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione
CID 161303704
carbanide;cyclopenta[f][1]benzothiole-5,7-dione;dimethyl 1-benzothiophene-5,6-dicarboxylate;dimethyl (Z)-but-2-enedioate;5-phenoselenazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzothiole-5,7-dione;thiophene-2,3-dicarbaldehyde
CID 162102949
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
2-[[5-(4-chloro-N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 159421426
2-[[5-(2,4,12-trithia-8-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraen-8-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(6E)-6-[[5-(2,4,12-trithia-8-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraen-8-yl)selenophen-2-yl]methylidene]cyclopenta[f][1]benzothiole-5,7-dione;2-[[5-(2,4,12-trithia-8-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7),5,10-tetraen-8-yl)selenophen-2-yl]methylidene]indene-1,3-dione
CID 159899734
(6E)-2-methyl-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzothiole-5,7-dione
CID 140821930
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821941
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
2-(2-hydroxyethyl)-6H-benzo[b][1]benzothiepin-5-one
CID 56980168
2-fluoro-6H-benzo[b][1]benzothiepin-5-one
CID 12624148
2-(3,11-diselena-7-telluratricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylmethylidene)cyclopenta[b]naphthalene-1,3-dione
CID 155656263

Frequently Asked Questions

What is the IUPAC name of cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene?
The IUPAC name of cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene (CID 160633310) is cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene.
What is the SMILES notation for cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene?
The canonical SMILES for cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene is CCO.ClCCl.IC1=[C+]C=C[Se]1.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1CC(=O)c2cc3[se]ccc3cc21.O=Cc1ccc(N2c3ccccc3Sc3ccccc32)[se]1.c1c[se]c(N2c3ccccc3Sc3ccccc32)c1.c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene?
The InChIKey is RIEYDPNYLUFXQI-SHFJDDDUSA-N. The full InChI is InChI=1S/C28H15NO2SSe2.C17H11NOSSe.C16H11NSSe.C13H10S.C11H6O2Se.C4H2ISe.C2H6O.CH2Cl2/c30-27-18-13-16-11-12-33-25(16)15-19(18)28(31)20(27)14-17-9-10-26(34-17)29-21-5-1-3-7-23(21)32-24-8-4-2-6-22(24)29;19-11-12-9-10-17(21-12)18-13-5-1-3-7-15(13)20-16-8-4-2-6-14(16)18;1-3-8-14-12(6-1)17(16-10-5-11-19-16)13-7-2-4-9-15(13)18-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;12-9-5-10(13)8-4-11-6(1-2-14-11)3-7(8)9;5-4-2-1-3-6-4;1-2-3;2-1-3/h1-15H;1-11H;1-11H;1-8H,9H2;1-4H,5H2;1,3H;3H,2H2,1H3;1H2/q;;;;;+1;;/b20-14+;;;;;;;.
What are the key properties of cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene?
cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene has a molecular weight of 2106.37 g/mol, XLogP of 23.64, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[f][1]benzoselenole-5,7-dione;dichloromethane;ethanol;2-iodo-3H-selenophen-3-ylium;5-phenothiazin-10-ylselenophene-2-carbaldehyde;(6E)-6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzoselenole-5,7-dione;10-selenophen-2-ylphenothiazine;9H-thioxanthene is sourced from PubChem (CID 160633310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).