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

C116H71N11O8Se4 — CID 158601788

IUPAC2-[[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
SMILESCN1c2ccccc2N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ncccc21.CN1c2ccccc2N(c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2ncccc21.O=C1C(=Cc2ccc(-n3c4ccccc4c4cccnc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4N(c4ccccc4)c4cccnc43)[se]2)C(=O)c2ccccc21
InChIInChI=1S/C31H19N3O2Se.C30H19N3O2Se.C29H16N2O2Se.C26H17N3O2Se/c35-29-22-11-4-5-12-23(22)30(36)24(29)19-21-16-17-28(37-21)34-26-14-7-6-13-25(26)33(20-9-2-1-3-10-20)27-15-8-18-32-31(27)34;1-32-24-9-4-5-10-25(24)33(30-26(32)11-6-14-31-30)27-13-12-20(36-27)17-23-28(34)21-15-18-7-2-3-8-19(18)16-22(21)29(23)35;32-27-22-14-17-6-1-2-7-18(17)15-23(22)28(33)24(27)16-19-11-12-26(34-19)31-25-10-4-3-8-20(25)21-9-5-13-30-29(21)31;1-28-20-9-4-5-10-21(20)29(26-22(28)11-6-14-27-26)23-13-12-16(32-23)15-19-24(30)17-7-2-3-8-18(17)25(19)31/h1-19H;2-17H,1H3;1-16H;2-15H,1H3
InChIKeyHVSKVBDQFGZOOO-UHFFFAOYSA-N
MW2062.75 g/mol
LogP24.16
Rot. Bonds9

About 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

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 (PubChem CID 158601788) has the molecular formula C116H71N11O8Se4 and a molecular weight of 2062.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID158601788
Molecular FormulaC116H71N11O8Se4
Molecular Weight2062.75 g/mol
Exact Mass2065.21
IUPAC Name2-[[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
SMILESCN1c2ccccc2N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ncccc21.CN1c2ccccc2N(c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2ncccc21.O=C1C(=Cc2ccc(-n3c4ccccc4c4cccnc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4N(c4ccccc4)c4cccnc43)[se]2)C(=O)c2ccccc21
InChIInChI=1S/C31H19N3O2Se.C30H19N3O2Se.C29H16N2O2Se.C26H17N3O2Se/c35-29-22-11-4-5-12-23(22)30(36)24(29)19-21-16-17-28(37-21)34-26-14-7-6-13-25(26)33(20-9-2-1-3-10-20)27-15-8-18-32-31(27)34;1-32-24-9-4-5-10-25(24)33(30-26(32)11-6-14-31-30)27-13-12-20(36-27)17-23-28(34)21-15-18-7-2-3-8-19(18)16-22(21)29(23)35;32-27-22-14-17-6-1-2-7-18(17)15-23(22)28(33)24(27)16-19-11-12-26(34-19)31-25-10-4-3-8-20(25)21-9-5-13-30-29(21)31;1-28-20-9-4-5-10-21(20)29(26-22(28)11-6-14-27-26)23-13-12-16(32-23)15-19-24(30)17-7-2-3-8-18(17)25(19)31/h1-19H;2-17H,1H3;1-16H;2-15H,1H3
InChIKeyHVSKVBDQFGZOOO-UHFFFAOYSA-N
XLogP24.16
TPSA212.49 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.75
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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 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 with MolForge

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Related Compounds

2-[[5-(5-methyl-5H-benzo[b][1,8]naphthyridin-10-yl)selenophen-2-yl]methylidene]indene-1,3-dione
CID 167578198
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265
(2E)-2-[[5-(9H-acridin-10-yl)tellurophen-2-yl]methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[[5-(9H-acridin-10-yl)tellurophen-2-yl]methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[[5-(5-phenylpyrido[2,3-b]quinoxalin-10-yl)tellurophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[5-(5-phenylpyrido[2,3-b]quinoxalin-10-yl)tellurophen-2-yl]methylidene]indene-1,3-dione
CID 163760623
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
6-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[f][2]benzothiole-5,7-dione
CID 140822012
9-phenylpyrido[2,3-b]indole
CID 15939260
9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
CID 176634730
2-[2,6-bis(10-methylphenazin-5-yl)-10-(1,10-phenanthrolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
CID 59220123
10-phenyl-3,6-bis(pyrido[2,3-b]indol-9-yl)spiro[acridine-9,9'-fluorene]
CID 122367920
8-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylpyrido[2,3-b]indole
CID 118587088

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2ccccc2N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ncccc21.CN1c2ccccc2N(c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2ncccc21.O=C1C(=Cc2ccc(-n3c4ccccc4c4cccnc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4N(c4ccccc4)c4cccnc43)[se]2)C(=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is HVSKVBDQFGZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O2Se.C30H19N3O2Se.C29H16N2O2Se.C26H17N3O2Se/c35-29-22-11-4-5-12-23(22)30(36)24(29)19-21-16-17-28(37-21)34-26-14-7-6-13-25(26)33(20-9-2-1-3-10-20)27-15-8-18-32-31(27)34;1-32-24-9-4-5-10-25(24)33(30-26(32)11-6-14-31-30)27-13-12-20(36-27)17-23-28(34)21-15-18-7-2-3-8-19(18)16-22(21)29(23)35;32-27-22-14-17-6-1-2-7-18(17)15-23(22)28(33)24(27)16-19-11-12-26(34-19)31-25-10-4-3-8-20(25)21-9-5-13-30-29(21)31;1-28-20-9-4-5-10-21(20)29(26-22(28)11-6-14-27-26)23-13-12-16(32-23)15-19-24(30)17-7-2-3-8-18(17)25(19)31/h1-19H;2-17H,1H3;1-16H;2-15H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2062.75 g/mol, XLogP of 24.16, 9 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158601788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).