4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum

C51H38N5PtS-3 — CID 176871566

IUPAC4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(C(=C(c4ccccc4)c4ccccc4)c4[c-]c(N5[CH-]N(c6ccccc6)c6cccnc65)ccc4)ccc3c3ccsc32)c1.[Pt]
InChIInChI=1S/C51H38N5S.Pt/c1-51(2,3)39-26-29-52-46(33-39)56-45-32-38(24-25-42(45)43-27-30-57-50(43)56)48(47(35-15-7-4-8-16-35)36-17-9-5-10-18-36)37-19-13-22-41(31-37)55-34-54(40-20-11-6-12-21-40)44-23-14-28-53-49(44)55;/h4-30,33-34H,1-3H3;/q-3;
InChIKeyVUQNKMWIDXEUEX-UHFFFAOYSA-N
MW948.05 g/mol
LogP12.95
Rot. Bonds7

About 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum

4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum (PubChem CID 176871566) has the molecular formula C51H38N5PtS-3 and a molecular weight of 948.05 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum.

Molecular Properties

Compound Name4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum
PubChem CID176871566
Molecular FormulaC51H38N5PtS-3
Molecular Weight948.05 g/mol
Exact Mass947.25
IUPAC Name4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum
SMILESCC(C)(C)c1ccnc(-n2c3[c-]c(C(=C(c4ccccc4)c4ccccc4)c4[c-]c(N5[CH-]N(c6ccccc6)c6cccnc65)ccc4)ccc3c3ccsc32)c1.[Pt]
InChIInChI=1S/C51H38N5S.Pt/c1-51(2,3)39-26-29-52-46(33-39)56-45-32-38(24-25-42(45)43-27-30-57-50(43)56)48(47(35-15-7-4-8-16-35)36-17-9-5-10-18-36)37-19-13-22-41(31-37)55-34-54(40-20-11-6-12-21-40)44-23-14-28-53-49(44)55;/h4-30,33-34H,1-3H3;/q-3;
InChIKeyVUQNKMWIDXEUEX-UHFFFAOYSA-N
XLogP12.95
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.05
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum?
The IUPAC name of 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum (CID 176871566) is 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum.
What is the SMILES notation for 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum?
The canonical SMILES for 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(C(=C(c4ccccc4)c4ccccc4)c4[c-]c(N5[CH-]N(c6ccccc6)c6cccnc65)ccc4)ccc3c3ccsc32)c1.[Pt].
What is the InChIKey of 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum?
The InChIKey is VUQNKMWIDXEUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N5S.Pt/c1-51(2,3)39-26-29-52-46(33-39)56-45-32-38(24-25-42(45)43-27-30-57-50(43)56)48(47(35-15-7-4-8-16-35)36-17-9-5-10-18-36)37-19-13-22-41(31-37)55-34-54(40-20-11-6-12-21-40)44-23-14-28-53-49(44)55;/h4-30,33-34H,1-3H3;/q-3;.
What are the key properties of 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum?
4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum has a molecular weight of 948.05 g/mol, XLogP of 12.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-pyridinyl)-6-[2,2-diphenyl-1-[3-(1-phenyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)benzene-2-id-1-yl]ethenyl]-5H-thieno[2,3-b]indol-5-ide;platinum is sourced from PubChem (CID 176871566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).