4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum

C57H35N5OPtS-2 — CID 154594904

IUPAC4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4nccc5sccc45)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt]
InChIInChI=1S/C57H35N5OS.Pt/c1-59-36-60(38-15-11-17-40(35-38)63-39-16-10-14-37(34-39)56-45-31-33-64-54(45)30-32-58-56)53-29-12-22-46(57(53)59)55-51(61-47-23-6-2-18-41(47)42-19-3-7-24-48(42)61)27-13-28-52(55)62-49-25-8-4-20-43(49)44-21-5-9-26-50(44)62;/h2-33H,1H3;/q-2;/i1D3;
InChIKeyKTIKSDLCLPTTPS-NIIDSAIPSA-N
MW1036.10 g/mol
LogP13.78
Rot. Bonds8

About 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum

4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum (PubChem CID 154594904) has the molecular formula C57H35N5OPtS-2 and a molecular weight of 1036.10 g/mol. Its IUPAC name is 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum.

Molecular Properties

Compound Name4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
PubChem CID154594904
Molecular FormulaC57H35N5OPtS-2
Molecular Weight1036.10 g/mol
Exact Mass1035.24
IUPAC Name4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
SMILES[2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4nccc5sccc45)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt]
InChIInChI=1S/C57H35N5OS.Pt/c1-59-36-60(38-15-11-17-40(35-38)63-39-16-10-14-37(34-39)56-45-31-33-64-54(45)30-32-58-56)53-29-12-22-46(57(53)59)55-51(61-47-23-6-2-18-41(47)42-19-3-7-24-48(42)61)27-13-28-52(55)62-49-25-8-4-20-43(49)44-21-5-9-26-50(44)62;/h2-33H,1H3;/q-2;/i1D3;
InChIKeyKTIKSDLCLPTTPS-NIIDSAIPSA-N
XLogP13.78
TPSA40.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.10
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum with MolForge

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Related Compounds

2-(1-methyl-7-thiophen-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153285214
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490575
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,5-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 153490649
9-[3-carbazol-9-yl-2-[1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]phenyl]carbazole;platinum
CID 154594724
4-[3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-(2-methylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;platinum
CID 154594733
1-[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]-2-carbazol-9-yl-9-phenylcarbazole;platinum
CID 154594747
2-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 154594749
1-[3-[3-[3-[2,6-di(carbazol-9-yl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum
CID 154594763
1-[3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2-methylpropyl)-[1]benzothiolo[2,3-c]pyridine;platinum
CID 154594765
2-carbazol-9-yl-9-phenyl-1-[1-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-4-yl]carbazole;platinum
CID 154594767
4-[3-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum
CID 154594771
4-[3-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-7-propan-2-ylthieno[3,2-d]pyrimidine;platinum
CID 154594775

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum?
The IUPAC name of 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum (CID 154594904) is 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum.
What is the SMILES notation for 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum?
The canonical SMILES for 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c(-c4nccc5sccc45)ccc3)ccc2)c2cccc(-c3c(-n4c5ccccc5c5ccccc54)cccc3-n3c4ccccc4c4ccccc43)c21.[Pt].
What is the InChIKey of 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum?
The InChIKey is KTIKSDLCLPTTPS-NIIDSAIPSA-N. The full InChI is InChI=1S/C57H35N5OS.Pt/c1-59-36-60(38-15-11-17-40(35-38)63-39-16-10-14-37(34-39)56-45-31-33-64-54(45)30-32-58-56)53-29-12-22-46(57(53)59)55-51(61-47-23-6-2-18-41(47)42-19-3-7-24-48(42)61)27-13-28-52(55)62-49-25-8-4-20-43(49)44-21-5-9-26-50(44)62;/h2-33H,1H3;/q-2;/i1D3;.
What are the key properties of 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum?
4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum has a molecular weight of 1036.10 g/mol, XLogP of 13.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[4-[2,6-di(carbazol-9-yl)phenyl]-3-(trideuteriomethyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]thieno[3,2-c]pyridine;platinum is sourced from PubChem (CID 154594904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).