3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum

C61H50N5OPtSe-3 — CID 168840839

IUPAC3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cn4)[Se]c4ccccc4N5c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4ccccc4)ccc32)cc1.[Pt]
InChIInChI=1S/C61H50N5OSe.Pt/c1-60(2,3)45-30-27-43(28-31-45)50-24-16-23-49(42-19-11-8-12-20-42)59(50)65-40-64(53-35-44(29-32-51(53)65)41-17-9-7-10-18-41)47-21-15-22-48(37-47)67-58-38-54-56(39-63-58)68-55-26-14-13-25-52(55)66(54)57-36-46(33-34-62-57)61(4,5)6;/h7-36,39-40H,1-6H3;/q-3;
InChIKeyWYUFITVBTNFUTH-UHFFFAOYSA-N
MW1143.14 g/mol
LogP14.31
Rot. Bonds8

About 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum

3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum (PubChem CID 168840839) has the molecular formula C61H50N5OPtSe-3 and a molecular weight of 1143.14 g/mol. Its IUPAC name is 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum.

Molecular Properties

Compound Name3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum
PubChem CID168840839
Molecular FormulaC61H50N5OPtSe-3
Molecular Weight1143.14 g/mol
Exact Mass1143.28
IUPAC Name3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cn4)[Se]c4ccccc4N5c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4ccccc4)ccc32)cc1.[Pt]
InChIInChI=1S/C61H50N5OSe.Pt/c1-60(2,3)45-30-27-43(28-31-45)50-24-16-23-49(42-19-11-8-12-20-42)59(50)65-40-64(53-35-44(29-32-51(53)65)41-17-9-7-10-18-41)47-21-15-22-48(37-47)67-58-38-54-56(39-63-58)68-55-26-14-13-25-52(55)66(54)57-36-46(33-34-62-57)61(4,5)6;/h7-36,39-40H,1-6H3;/q-3;
InChIKeyWYUFITVBTNFUTH-UHFFFAOYSA-N
XLogP14.31
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.14
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum with MolForge

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Related Compounds

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-phenyl-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-8-(trifluoromethyl)-1H-phenotellurazin-1-ide;platinum
CID 168840824
2-[3-[3-[2,6-bis(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 177082962
CID 176782986
CID 176782986
CID 176843870
CID 176843870
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 168761429
6-(4-tert-butylphenyl)-2-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 170780405
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzofuro[3,2-b]indol-1-ide;platinum
CID 168857453
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-(4-tert-butyl-2-pyridinyl)-1H-[1]benzothiolo[3,2-b]indol-1-ide;platinum
CID 168857655
2-[3-[3-(2-tert-butyl-6-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 153490740
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-3,6-diphenyl-1H-carbazol-1-ide;platinum
CID 168780812
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
CID 168780186
2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 168780428

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum?
The IUPAC name of 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum (CID 168840839) is 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum.
What is the SMILES notation for 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum?
The canonical SMILES for 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum is CC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cn4)[Se]c4ccccc4N5c4cc(C(C)(C)C)ccn4)ccc3)c3cc(-c4ccccc4)ccc32)cc1.[Pt].
What is the InChIKey of 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum?
The InChIKey is WYUFITVBTNFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N5OSe.Pt/c1-60(2,3)45-30-27-43(28-31-45)50-24-16-23-49(42-19-11-8-12-20-42)59(50)65-40-64(53-35-44(29-32-51(53)65)41-17-9-7-10-18-41)47-21-15-22-48(37-47)67-58-38-54-56(39-63-58)68-55-26-14-13-25-52(55)66(54)57-36-46(33-34-62-57)61(4,5)6;/h7-36,39-40H,1-6H3;/q-3;.
What are the key properties of 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum?
3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum has a molecular weight of 1143.14 g/mol, XLogP of 14.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-4H-pyrido[3,4-b][1,4]benzoselenazin-4-ide;platinum is sourced from PubChem (CID 168840839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).