6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C67H60N4OPt-2 — CID 171610808

About 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 171610808) has the molecular formula C67H60N4OPt-2 and a molecular weight of 1132.32 g/mol. Its IUPAC name is 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 171610808
• Molecular Formula: C67H60N4OPt-2
• Molecular Weight: 1132.32 g/mol
• Exact Mass: 1131.44
• IUPAC Name: 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C67H60N4O.Pt/c1-65(2,3)42-48-38-63(68-43-58(48)47-30-32-49(33-31-47)66(4,5)6)71-59-37-34-50(67(7,8)9)39-57(59)56-36-35-53(41-62(56)71)72-52-25-18-24-51(40-52)69-44-70(61-29-17-16-28-60(61)69)64-54(45-20-12-10-13-21-45)26-19-27-55(64)46-22-14-11-15-23-46;/h10-39,43H,42H2,1-9H3;/q-2
• InChIKey: ZDZSCJOUCBYYEE-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.32
LogP ≤ 5	16.77
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-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 171610808) is 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc(C(C)(C)C)ccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt].

What is the InChIKey of 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is ZDZSCJOUCBYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H60N4O.Pt/c1-65(2,3)42-48-38-63(68-43-58(48)47-30-32-49(33-31-47)66(4,5)6)71-59-37-34-50(67(7,8)9)39-57(59)56-36-35-53(41-62(56)71)72-52-25-18-24-51(40-52)69-44-70(61-29-17-16-28-60(61)69)64-54(45-20-12-10-13-21-45)26-19-27-55(64)46-22-14-11-15-23-46;/h10-39,43H,42H2,1-9H3;/q-2;.

What are the key properties of 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1132.32 g/mol, XLogP of 16.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-[5-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171610808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).