5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum

C43H32N4OPt-2 — CID 171415953

IUPAC5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum
SMILESCC(C)(C)c1ccccc1-[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc4ccoc4cn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C43H32N4O.Pt/c1-43(2,3)35-14-5-7-16-37(35)46-28-45(38-17-8-9-18-39(38)46)32-12-10-11-29(24-32)23-30-19-20-34-33-13-4-6-15-36(33)47(40(34)25-30)42-26-31-21-22-48-41(31)27-44-42;/h4-22,26-27H,23H2,1-3H3;/q-2;
InChIKeyFSKWISUYRYBLGN-UHFFFAOYSA-N
MW815.83 g/mol
LogP9.43
Rot. Bonds5

About 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum

5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum (PubChem CID 171415953) has the molecular formula C43H32N4OPt-2 and a molecular weight of 815.83 g/mol. Its IUPAC name is 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum.

Molecular Properties

Compound Name5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum
PubChem CID171415953
Molecular FormulaC43H32N4OPt-2
Molecular Weight815.83 g/mol
Exact Mass815.22
IUPAC Name5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum
SMILESCC(C)(C)c1ccccc1-[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc4ccoc4cn3)ccc2)c2ccccc21.[Pt]
InChIInChI=1S/C43H32N4O.Pt/c1-43(2,3)35-14-5-7-16-37(35)46-28-45(38-17-8-9-18-39(38)46)32-12-10-11-29(24-32)23-30-19-20-34-33-13-4-6-15-36(33)47(40(34)25-30)42-26-31-21-22-48-41(31)27-44-42;/h4-22,26-27H,23H2,1-3H3;/q-2;
InChIKeyFSKWISUYRYBLGN-UHFFFAOYSA-N
XLogP9.43
TPSA39.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.83
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[3,2-c]pyridine;platinum
CID 171416036
3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
CID 171416094
3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum
CID 171416074
6-[2-[[3-[3-[2-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-4-methylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-1,3-dihydrofuro[3,4-c]pyridine;platinum
CID 171415992
CID 170930584
CID 170930584
4-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenyl]methyl]carbazol-9-yl]furo[3,2-c]pyridine
CID 171416087
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171427704
CID 170942391
CID 170942391
2-[3-[3-[2-tert-butyl-6-(2-tert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 169019292
[1-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]dibenzofuran-2-yl]-trimethylsilane;platinum
CID 166497076
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176797818
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 170517399

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum?
The IUPAC name of 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum (CID 171415953) is 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum.
What is the SMILES notation for 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum?
The canonical SMILES for 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum is CC(C)(C)c1ccccc1-[n+]1[c-]n(-c2[c-]c(Cc3[c-]c4c(cc3)c3ccccc3n4-c3cc4ccoc4cn3)ccc2)c2ccccc21.[Pt].
What is the InChIKey of 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum?
The InChIKey is FSKWISUYRYBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O.Pt/c1-43(2,3)35-14-5-7-16-37(35)46-28-45(38-17-8-9-18-39(38)46)32-12-10-11-29(24-32)23-30-19-20-34-33-13-4-6-15-36(33)47(40(34)25-30)42-26-31-21-22-48-41(31)27-44-42;/h4-22,26-27H,23H2,1-3H3;/q-2;.
What are the key properties of 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum?
5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum has a molecular weight of 815.83 g/mol, XLogP of 9.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[2,3-c]pyridine;platinum is sourced from PubChem (CID 171415953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).