6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C54H46N7OPt-3 — CID 168799793

About 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 168799793) has the molecular formula C54H46N7OPt-3 and a molecular weight of 1004.09 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 168799793
• Molecular Formula: C54H46N7OPt-3
• Molecular Weight: 1004.09 g/mol
• Exact Mass: 1003.34
• IUPAC Name: 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt]
• InChI: InChI=1S/C54H46N7O.Pt/c1-53(2,3)37-25-26-44-41(30-37)42-32-43(52-57-50(35-18-10-8-11-19-35)56-51(58-52)36-20-12-9-13-21-36)48(33-47(42)61(44)49-24-16-17-27-55-49)62-40-29-38(54(4,5)6)28-39(31-40)60-34-59(7)45-22-14-15-23-46(45)60;/h8-30,32,34H,1-7H3;/q-3
• InChIKey: SKXDZSOUBHCBQG-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 72.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.09
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 168799793) is 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3-c3nc(-c5ccccc5)nc(-c5ccccc5)n3)c3cc(C(C)(C)C)ccc3n4-c3ccccn3)cc(C(C)(C)C)c2)c2ccccc21.[Pt].

What is the InChIKey of 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is SKXDZSOUBHCBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N7O.Pt/c1-53(2,3)37-25-26-44-41(30-37)42-32-43(52-57-50(35-18-10-8-11-19-35)56-51(58-52)36-20-12-9-13-21-36)48(33-47(42)61(44)49-24-16-17-27-55-49)62-40-29-38(54(4,5)6)28-39(31-40)60-34-59(7)45-22-14-15-23-46(45)60;/h8-30,32,34H,1-7H3;/q-3;.

What are the key properties of 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1004.09 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168799793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).