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

C195H107N11O14S2Se18 — CID 161303704

IUPAC6-[[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
SMILESCC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4cc5c[se]cc5cc4C3=O)[se]2)c2ncccc21.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3c[se]cc3cc21
InChIInChI=1S/C30H20N2O2Se2.C28H15NO2SSe2.2C28H15NO2Se3.C27H14N2O2SSe2.2C27H14N2O2Se3/c1-30(2)23-6-3-4-8-25(23)32(29-24(30)7-5-11-31-29)26-10-9-19(36-26)14-22-27(33)20-12-17-15-35-16-18(17)13-21(20)28(22)34;30-27-19-11-16-14-33-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(34-18)29-22-5-1-3-7-24(22)32-25-8-4-2-6-23(25)29;30-27-19-11-16-14-32-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(33-18)29-22-5-1-3-7-24(22)34-25-8-4-2-6-23(25)29;30-27-18-13-16-11-12-32-25(16)15-19(18)28(31)20(27)14-17-9-10-26(33-17)29-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)29;30-25-17-12-15-9-11-33-23(15)14-18(17)26(31)19(25)13-16-7-8-24(34-16)29-20-4-1-2-5-21(20)32-22-6-3-10-28-27(22)29;30-25-17-12-15-9-11-32-23(15)14-18(17)26(31)19(25)13-16-7-8-24(33-16)29-20-4-1-2-5-21(20)34-22-6-3-10-28-27(22)29;30-25-18-10-15-13-32-14-16(15)11-19(18)26(31)20(25)12-17-7-8-24(33-17)29-21-4-1-2-5-22(21)34-23-6-3-9-28-27(23)29/h3-16H,1-2H3;3*1-15H;3*1-14H/b;;;20-14+;2*19-13+;
InChIKeyVHYOADCASBEFPE-XJXGHJQVSA-N
MW4313.48 g/mol
LogP32.23
Rot. Bonds14

About 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

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 (PubChem CID 161303704) has the molecular formula C195H107N11O14S2Se18 and a molecular weight of 4313.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID161303704
Molecular FormulaC195H107N11O14S2Se18
Molecular Weight4313.48 g/mol
Exact Mass4328.24
IUPAC Name6-[[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
SMILESCC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4cc5c[se]cc5cc4C3=O)[se]2)c2ncccc21.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3c[se]cc3cc21
InChIInChI=1S/C30H20N2O2Se2.C28H15NO2SSe2.2C28H15NO2Se3.C27H14N2O2SSe2.2C27H14N2O2Se3/c1-30(2)23-6-3-4-8-25(23)32(29-24(30)7-5-11-31-29)26-10-9-19(36-26)14-22-27(33)20-12-17-15-35-16-18(17)13-21(20)28(22)34;30-27-19-11-16-14-33-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(34-18)29-22-5-1-3-7-24(22)32-25-8-4-2-6-23(25)29;30-27-19-11-16-14-32-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(33-18)29-22-5-1-3-7-24(22)34-25-8-4-2-6-23(25)29;30-27-18-13-16-11-12-32-25(16)15-19(18)28(31)20(27)14-17-9-10-26(33-17)29-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)29;30-25-17-12-15-9-11-33-23(15)14-18(17)26(31)19(25)13-16-7-8-24(34-16)29-20-4-1-2-5-21(20)32-22-6-3-10-28-27(22)29;30-25-17-12-15-9-11-32-23(15)14-18(17)26(31)19(25)13-16-7-8-24(33-16)29-20-4-1-2-5-21(20)34-22-6-3-10-28-27(22)29;30-25-18-10-15-13-32-14-16(15)11-19(18)26(31)20(25)12-17-7-8-24(33-17)29-21-4-1-2-5-22(21)34-23-6-3-9-28-27(23)29/h3-16H,1-2H3;3*1-15H;3*1-14H/b;;;20-14+;2*19-13+;
InChIKeyVHYOADCASBEFPE-XJXGHJQVSA-N
XLogP32.23
TPSA313.22 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004313.48
LogP ≤ 532.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 140821941
6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzothiole-5,7-dione
CID 140822012
(6E)-2-methyl-6-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][1]benzothiole-5,7-dione
CID 140821930
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-(5-methyl-5H-benzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]indene-1,3-dione
CID 167578198
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
2-[(5-pyrido[3,2-b][1,4]benzothiazin-10-ylthiophen-2-yl)methylidene]indene-1,3-dione
CID 137411173
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
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140963339
2-[[5-(5-methylpyrido[2,3-b]quinoxalin-10-yl)selenophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(5-methylpyrido[2,3-b]quinoxalin-10-yl)selenophen-2-yl]methylidene]indene-1,3-dione;2-[[5-(5-phenylpyrido[2,3-b]quinoxalin-10-yl)selenophen-2-yl]methylidene]indene-1,3-dione;2-[(5-pyrido[2,3-b]indol-9-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158601788
5-[[4-(9,9-dimethylacridin-10-yl)-2,5-diethylphenyl]methylidene]cyclopenta[c]selenophene-4,6-dione
CID 171405674
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4cc5c[se]cc5cc4C3=O)[se]2)c2ncccc21.O=C1/C(=C\c2ccc(N3c4ccccc4Sc4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3[se]ccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3c[se]cc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4cccnc43)[se]2)C(=O)c2cc3c[se]cc3cc21.
What is the InChIKey of 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?
The InChIKey is VHYOADCASBEFPE-XJXGHJQVSA-N. The full InChI is InChI=1S/C30H20N2O2Se2.C28H15NO2SSe2.2C28H15NO2Se3.C27H14N2O2SSe2.2C27H14N2O2Se3/c1-30(2)23-6-3-4-8-25(23)32(29-24(30)7-5-11-31-29)26-10-9-19(36-26)14-22-27(33)20-12-17-15-35-16-18(17)13-21(20)28(22)34;30-27-19-11-16-14-33-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(34-18)29-22-5-1-3-7-24(22)32-25-8-4-2-6-23(25)29;30-27-19-11-16-14-32-15-17(16)12-20(19)28(31)21(27)13-18-9-10-26(33-18)29-22-5-1-3-7-24(22)34-25-8-4-2-6-23(25)29;30-27-18-13-16-11-12-32-25(16)15-19(18)28(31)20(27)14-17-9-10-26(33-17)29-21-5-1-3-7-23(21)34-24-8-4-2-6-22(24)29;30-25-17-12-15-9-11-33-23(15)14-18(17)26(31)19(25)13-16-7-8-24(34-16)29-20-4-1-2-5-21(20)32-22-6-3-10-28-27(22)29;30-25-17-12-15-9-11-32-23(15)14-18(17)26(31)19(25)13-16-7-8-24(33-16)29-20-4-1-2-5-21(20)34-22-6-3-10-28-27(22)29;30-25-18-10-15-13-32-14-16(15)11-19(18)26(31)20(25)12-17-7-8-24(33-17)29-21-4-1-2-5-22(21)34-23-6-3-9-28-27(23)29/h3-16H,1-2H3;3*1-15H;3*1-14H/b;;;20-14+;2*19-13+;.
What are the key properties of 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?
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 has a molecular weight of 4313.48 g/mol, XLogP of 32.23, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161303704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).