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

C60H52N4OPt-2 — CID 171415992

About 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

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 (PubChem CID 171415992) has the molecular formula C60H52N4OPt-2 and a molecular weight of 1040.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 171415992
• Molecular Formula: C60H52N4OPt-2
• Molecular Weight: 1040.18 g/mol
• Exact Mass: 1039.38
• IUPAC Name: 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
• SMILES: Cc1cc(-c2ccc(C(C)(C)C)cc2)c(-[n+]2[c-]n(-c3[c-]c(Cc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)COC5)ccc3)c3ccccc32)c(-c2cccc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C60H52N4O.Pt/c1-39-28-51(42-23-25-46(26-24-42)59(2,3)4)58(52(29-39)43-15-13-16-47(33-43)60(5,6)7)63-38-62(54-20-10-11-21-55(54)63)48-17-12-14-40(31-48)30-41-22-27-50-49-18-8-9-19-53(49)64(56(50)32-41)57-34-44-36-65-37-45(44)35-61-57;/h8-29,33-35H,30,36-37H2,1-7H3;/q-2
• InChIKey: UQPIEMWSAOMJTQ-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.18
LogP ≤ 5	13.66
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 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(-c2ccc(C(C)(C)C)cc2)c(-[n+]2[c-]n(-c3[c-]c(Cc4[c-]c5c(cc4)c4ccccc4n5-c4cc5c(cn4)COC5)ccc3)c3ccccc32)c(-c2cccc(C(C)(C)C)c2)c1.[Pt].

What is the InChIKey of 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?

The InChIKey is UQPIEMWSAOMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N4O.Pt/c1-39-28-51(42-23-25-46(26-24-42)59(2,3)4)58(52(29-39)43-15-13-16-47(33-43)60(5,6)7)63-38-62(54-20-10-11-21-55(54)63)48-17-12-14-40(31-48)30-41-22-27-50-49-18-8-9-19-53(49)64(56(50)32-41)57-34-44-36-65-37-45(44)35-61-57;/h8-29,33-35H,30,36-37H2,1-7H3;/q-2;.

What are the key properties of 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?

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 has a molecular weight of 1040.18 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171415992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).