9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C58H56N4OPt-2 — CID 168783635

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168783635) has the molecular formula C58H56N4OPt-2 and a molecular weight of 1020.19 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168783635
• Molecular Formula: C58H56N4OPt-2
• Molecular Weight: 1020.19 g/mol
• Exact Mass: 1019.41
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: Cc1cccc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cccc(-c4ccccc4)c3)c(C(C)(C)C)c2C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C58H56N4O.Pt/c1-38-19-17-20-39(2)53(38)42-32-45(61-37-60(54(57(6,7)8)55(61)58(9,10)11)44-24-18-23-41(31-44)40-21-13-12-14-22-40)35-47(33-42)63-46-27-28-49-48-25-15-16-26-50(48)62(51(49)36-46)52-34-43(29-30-59-52)56(3,4)5;/h12-34H,1-11H3;/q-2
• InChIKey: SRSMXCMJCRJUNS-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.19
LogP ≤ 5	14.28
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168783635) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is Cc1cccc(C)c1-c1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cccc(-c4ccccc4)c3)c(C(C)(C)C)c2C(C)(C)C)c1.[Pt].

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

The InChIKey is SRSMXCMJCRJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H56N4O.Pt/c1-38-19-17-20-39(2)53(38)42-32-45(61-37-60(54(57(6,7)8)55(61)58(9,10)11)44-24-18-23-41(31-44)40-21-13-12-14-22-40)35-47(33-42)63-46-27-28-49-48-25-15-16-26-50(48)62(51(49)36-46)52-34-43(29-30-59-52)56(3,4)5;/h12-34H,1-11H3;/q-2;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1020.19 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-phenylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2,6-dimethylphenyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168783635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).