[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))

C143H85N15O7Pt5S4Se — CID 161113054

IUPAC[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))
SMILESCc1ccc2c(n1)[se]c1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C29H17N3O2.C29H17N3OS.C29H17N3OSe.C28H17N3O2S.C28H17N3OS2.5Pt/c3*1-18-16-17-21-20-10-5-11-22(28(20)34-29(21)30-18)24-13-7-15-26(32-24)27(33)25-14-6-12-23(31-25)19-8-3-2-4-9-19;2*1-18-16-17-21-20-10-5-11-22(27(20)33-28(21)29-18)24-13-7-15-26(31-24)34(32)25-14-6-12-23(30-25)19-8-3-2-4-9-19;;;;;/h5*2-8,10,12-17H,1H3;;;;;/q5*-2;5*+2
InChIKeyLFTNZRBPTMFVBP-UHFFFAOYSA-N
MW3307.97 g/mol
LogP31.48
Rot. Bonds20

About [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))

[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) (PubChem CID 161113054) has the molecular formula C143H85N15O7Pt5S4Se and a molecular weight of 3307.97 g/mol. Its IUPAC name is [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)).

Molecular Properties

Compound Name[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))
PubChem CID161113054
Molecular FormulaC143H85N15O7Pt5S4Se
Molecular Weight3307.97 g/mol
Exact Mass3306.30
IUPAC Name[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))
SMILESCc1ccc2c(n1)[se]c1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C29H17N3O2.C29H17N3OS.C29H17N3OSe.C28H17N3O2S.C28H17N3OS2.5Pt/c3*1-18-16-17-21-20-10-5-11-22(28(20)34-29(21)30-18)24-13-7-15-26(32-24)27(33)25-14-6-12-23(31-25)19-8-3-2-4-9-19;2*1-18-16-17-21-20-10-5-11-22(27(20)33-28(21)29-18)24-13-7-15-26(31-24)34(32)25-14-6-12-23(30-25)19-8-3-2-4-9-19;;;;;/h5*2-8,10,12-17H,1H3;;;;;/q5*-2;5*+2
InChIKeyLFTNZRBPTMFVBP-UHFFFAOYSA-N
XLogP31.48
TPSA304.98 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003307.97
LogP ≤ 531.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))?
The IUPAC name of [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) (CID 161113054) is [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)).
What is the SMILES notation for [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))?
The canonical SMILES for [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) is Cc1ccc2c(n1)[se]c1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(C(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.Cc1ccc2c(n1)sc1c(-c3cccc(S(=O)c4cccc(-c5[c-]cccc5)n4)n3)[c-]ccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))?
The InChIKey is LFTNZRBPTMFVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N3O2.C29H17N3OS.C29H17N3OSe.C28H17N3O2S.C28H17N3OS2.5Pt/c3*1-18-16-17-21-20-10-5-11-22(28(20)34-29(21)30-18)24-13-7-15-26(32-24)27(33)25-14-6-12-23(31-25)19-8-3-2-4-9-19;2*1-18-16-17-21-20-10-5-11-22(27(20)33-28(21)29-18)24-13-7-15-26(31-24)34(32)25-14-6-12-23(30-25)19-8-3-2-4-9-19;;;;;/h5*2-8,10,12-17H,1H3;;;;;/q5*-2;5*+2.
What are the key properties of [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+))?
[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) has a molecular weight of 3307.97 g/mol, XLogP of 31.48, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzoselenolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;[6-(2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-id-8-yl)-2-pyridinyl]-(6-phenyl-2-pyridinyl)methanone;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[6-[(6-phenyl-2-pyridinyl)sulfinyl]-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;pentakis(platinum(2+)) is sourced from PubChem (CID 161113054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).