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

C50H42N5OPt-3 — CID 176782047

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

3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum (PubChem CID 176782047) has the molecular formula C50H42N5OPt-3 and a molecular weight of 924.00 g/mol. Its IUPAC name is 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum.

Molecular Properties

• Compound Name: 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum
• PubChem CID: 176782047
• Molecular Formula: C50H42N5OPt-3
• Molecular Weight: 924.00 g/mol
• Exact Mass: 923.31
• IUPAC Name: 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)ccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[Pt]
• InChI: InChI=1S/C50H42N5O.Pt/c1-49(2,3)33-27-28-51-46(29-33)55-44-26-25-39-38-19-10-11-20-41(38)54(34-15-8-7-9-16-34)48(39)47(44)40-24-23-37(31-45(40)55)56-36-18-14-17-35(30-36)52-32-53(50(4,5)6)43-22-13-12-21-42(43)52;/h7-29,32H,1-6H3;/q-3
• InChIKey: SDANUOJLBOIZMD-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.00
LogP ≤ 5	12.84
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 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum?

The IUPAC name of 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum (CID 176782047) is 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum.

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

The canonical SMILES for 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(C(C)(C)C)c6ccccc65)ccc4)ccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[Pt].

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

The InChIKey is SDANUOJLBOIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N5O.Pt/c1-49(2,3)33-27-28-51-46(29-33)55-44-26-25-39-38-19-10-11-20-41(38)54(34-15-8-7-9-16-34)48(39)47(44)40-24-23-37(31-45(40)55)56-36-18-14-17-35(30-36)52-32-53(50(4,5)6)43-22-13-12-21-42(43)52;/h7-29,32H,1-6H3;/q-3;.

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

3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum has a molecular weight of 924.00 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(3-tert-butyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-5-(4-tert-butyl-2-pyridinyl)-12-phenyl-4H-indolo[3,2-c]carbazol-4-ide;platinum is sourced from PubChem (CID 176782047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).