2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione

C120H67N7O8S6Se5 — CID 157137616

IUPAC2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2cc3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)c2ncccc21.O=C1C(=Cc2cc3[se]c(N4c5ccccc5[Se]c5cccnc54)cc3[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5ccccc54)cc3s2)C(=O)c2ccccc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5cccnc54)cc3s2)C(=O)c2ccccc21
InChIInChI=1S/C34H22N2O2S2.C31H16N2O2Se3.C28H15NO2S2Se.C27H14N2O2S2Se/c1-34(2)25-10-5-6-12-27(25)36(33-26(34)11-7-13-35-33)30-18-29-28(40-30)17-21(39-29)16-24-31(37)22-14-19-8-3-4-9-20(19)15-23(22)32(24)38;34-29-20-12-17-6-1-2-7-18(17)13-21(20)30(35)22(29)14-19-15-26-27(36-19)16-28(38-26)33-23-8-3-4-9-24(23)37-25-10-5-11-32-31(25)33;30-27-17-7-1-2-8-18(17)28(31)19(27)13-16-14-22-23(32-16)15-26(33-22)29-20-9-3-5-11-24(20)34-25-12-6-4-10-21(25)29;30-25-16-6-1-2-7-17(16)26(31)18(25)12-15-13-20-21(32-15)14-24(33-20)29-19-8-3-4-9-22(19)34-23-10-5-11-28-27(23)29/h3-18H,1-2H3;1-16H;1-15H;1-14H
InChIKeyAJUQSYYSQPLNKZ-UHFFFAOYSA-N
MW2322.10 g/mol
LogP24.61
Rot. Bonds8

About 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione

2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione (PubChem CID 157137616) has the molecular formula C120H67N7O8S6Se5 and a molecular weight of 2322.10 g/mol. Its IUPAC name is 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione
PubChem CID157137616
Molecular FormulaC120H67N7O8S6Se5
Molecular Weight2322.10 g/mol
Exact Mass2324.92
IUPAC Name2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione
SMILESCC1(C)c2ccccc2N(c2cc3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)c2ncccc21.O=C1C(=Cc2cc3[se]c(N4c5ccccc5[Se]c5cccnc54)cc3[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5ccccc54)cc3s2)C(=O)c2ccccc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5cccnc54)cc3s2)C(=O)c2ccccc21
InChIInChI=1S/C34H22N2O2S2.C31H16N2O2Se3.C28H15NO2S2Se.C27H14N2O2S2Se/c1-34(2)25-10-5-6-12-27(25)36(33-26(34)11-7-13-35-33)30-18-29-28(40-30)17-21(39-29)16-24-31(37)22-14-19-8-3-4-9-20(19)15-23(22)32(24)38;34-29-20-12-17-6-1-2-7-18(17)13-21(20)30(35)22(29)14-19-15-26-27(36-19)16-28(38-26)33-23-8-3-4-9-24(23)37-25-10-5-11-32-31(25)33;30-27-17-7-1-2-8-18(17)28(31)19(27)13-16-14-22-23(32-16)15-26(33-22)29-20-9-3-5-11-24(20)34-25-12-6-4-10-21(25)29;30-25-16-6-1-2-7-17(16)26(31)18(25)12-15-13-20-21(32-15)14-24(33-20)29-19-8-3-4-9-22(19)34-23-10-5-11-28-27(23)29/h3-18H,1-2H3;1-16H;1-15H;1-14H
InChIKeyAJUQSYYSQPLNKZ-UHFFFAOYSA-N
XLogP24.61
TPSA188.19 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002322.10
LogP ≤ 524.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione (CID 157137616) is 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione is CC1(C)c2ccccc2N(c2cc3sc(C=C4C(=O)c5cc6ccccc6cc5C4=O)cc3s2)c2ncccc21.O=C1C(=Cc2cc3[se]c(N4c5ccccc5[Se]c5cccnc54)cc3[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5ccccc54)cc3s2)C(=O)c2ccccc21.O=C1C(=Cc2cc3sc(N4c5ccccc5[Se]c5cccnc54)cc3s2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione?
The InChIKey is AJUQSYYSQPLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O2S2.C31H16N2O2Se3.C28H15NO2S2Se.C27H14N2O2S2Se/c1-34(2)25-10-5-6-12-27(25)36(33-26(34)11-7-13-35-33)30-18-29-28(40-30)17-21(39-29)16-24-31(37)22-14-19-8-3-4-9-20(19)15-23(22)32(24)38;34-29-20-12-17-6-1-2-7-18(17)13-21(20)30(35)22(29)14-19-15-26-27(36-19)16-28(38-26)33-23-8-3-4-9-24(23)37-25-10-5-11-32-31(25)33;30-27-17-7-1-2-8-18(17)28(31)19(27)13-16-14-22-23(32-16)15-26(33-22)29-20-9-3-5-11-24(20)34-25-12-6-4-10-21(25)29;30-25-16-6-1-2-7-17(16)26(31)18(25)12-15-13-20-21(32-15)14-24(33-20)29-19-8-3-4-9-22(19)34-23-10-5-11-28-27(23)29/h3-18H,1-2H3;1-16H;1-15H;1-14H.
What are the key properties of 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione?
2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione has a molecular weight of 2322.10 g/mol, XLogP of 24.61, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)thieno[3,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylselenopheno[3,2-b]selenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-pyrido[3,2-b][1,4]benzoselenazin-10-ylthieno[3,2-b]thiophen-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 157137616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).