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

C40H26N4OPt-2 — CID 171416036

About 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

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 (PubChem CID 171416036) has the molecular formula C40H26N4OPt-2 and a molecular weight of 773.75 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171416036
• Molecular Formula: C40H26N4OPt-2
• Molecular Weight: 773.75 g/mol
• Exact Mass: 773.18
• IUPAC Name: 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
• SMILES: Cc1cc2cnc(-n3c4[c-]c(Cc5[c-]c(-n6[c-][n+](-c7ccccc7)c7ccccc76)ccc5)ccc4c4ccccc43)cc2o1.[Pt]
• InChI: InChI=1S/C40H26N4O.Pt/c1-27-20-30-25-41-40(24-39(30)45-27)44-35-15-6-5-14-33(35)34-19-18-29(23-38(34)44)21-28-10-9-13-32(22-28)43-26-42(31-11-3-2-4-12-31)36-16-7-8-17-37(36)43;/h2-20,24-25H,21H2,1H3;/q-2
• InChIKey: NYMJLTXXHVFZGB-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 39.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.75
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc2cnc(-n3c4[c-]c(Cc5[c-]c(-n6[c-][n+](-c7ccccc7)c7ccccc76)ccc5)ccc4c4ccccc43)cc2o1.[Pt].

What is the InChIKey of 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?

The InChIKey is NYMJLTXXHVFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O.Pt/c1-27-20-30-25-41-40(24-39(30)45-27)44-35-15-6-5-14-33(35)34-19-18-29(23-38(34)44)21-28-10-9-13-32(22-28)43-26-42(31-11-3-2-4-12-31)36-16-7-8-17-37(36)43;/h2-20,24-25H,21H2,1H3;/q-2;.

What are the key properties of 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?

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 has a molecular weight of 773.75 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171416036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).