5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)

C51H41N5OPt — CID 176782923

About 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)

5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+) (PubChem CID 176782923) has the molecular formula C51H41N5OPt and a molecular weight of 935.00 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)
• PubChem CID: 176782923
• Molecular Formula: C51H41N5OPt
• Molecular Weight: 935.00 g/mol
• Exact Mass: 934.30
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)
• SMILES: Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c5c(cc4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4cc(C(C)(C)C)ccn4)ccc3)n2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C51H41N5O.Pt/c1-32-27-33(2)48(34(3)28-32)43-24-26-54(53-43)37-15-12-16-38(30-37)57-39-19-20-42-46(31-39)56(47-29-35(23-25-52-47)51(4,5)6)45-22-21-41-40-17-10-11-18-44(40)55(50(41)49(42)45)36-13-8-7-9-14-36;/h7-29H,1-6H3;/q-2;+2
• InChIKey: GSSJXKLFJOPXNK-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 49.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.00
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+) (CID 176782923) is 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+) is Cc1cc(C)c(-c2ccn(-c3[c-]c(Oc4[c-]c5c(cc4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4cc(C(C)(C)C)ccn4)ccc3)n2)c(C)c1.[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)?

The InChIKey is GSSJXKLFJOPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N5O.Pt/c1-32-27-33(2)48(34(3)28-32)43-24-26-54(53-43)37-15-12-16-38(30-37)57-39-19-20-42-46(31-39)56(47-29-35(23-25-52-47)51(4,5)6)45-22-21-41-40-17-10-11-18-44(40)55(50(41)49(42)45)36-13-8-7-9-14-36;/h7-29H,1-6H3;/q-2;+2.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+)?

5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+) has a molecular weight of 935.00 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-12-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-4H-indolo[3,2-c]carbazol-4-ide;platinum(2+) is sourced from PubChem (CID 176782923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).