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

C60H55N4OPt-3 — CID 155652652

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

5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652652) has the molecular formula C60H55N4OPt-3 and a molecular weight of 1043.20 g/mol. Its IUPAC name is 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652652
• Molecular Formula: C60H55N4OPt-3
• Molecular Weight: 1043.20 g/mol
• Exact Mass: 1042.40
• IUPAC Name: 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccc(C(C)(C)C)cc65)ccc4)ccc3c3c(C(C)(C)C)cccc32)c1.[Pt]
• InChI: InChI=1S/C60H55N4O.Pt/c1-58(2,3)44-26-29-52-55(35-44)62(39-63(52)47-33-42(40-18-12-10-13-19-40)32-43(34-47)41-20-14-11-15-21-41)46-22-16-23-48(37-46)65-49-27-28-50-54(38-49)64(56-36-45(30-31-61-56)59(4,5)6)53-25-17-24-51(57(50)53)60(7,8)9;/h10-36,39H,1-9H3;/q-3
• InChIKey: HEGRMIAORWKIKG-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.20
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155652652) is 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ccc(C(C)(C)C)cc65)ccc4)ccc3c3c(C(C)(C)C)cccc32)c1.[Pt].

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

The InChIKey is HEGRMIAORWKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N4O.Pt/c1-58(2,3)44-26-29-52-55(35-44)62(39-63(52)47-33-42(40-18-12-10-13-19-40)32-43(34-47)41-20-14-11-15-21-41)46-22-16-23-48(37-46)65-49-27-28-50-54(38-49)64(56-36-45(30-31-61-56)59(4,5)6)53-25-17-24-51(57(50)53)60(7,8)9;/h10-36,39H,1-9H3;/q-3;.

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

5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1043.20 g/mol, XLogP of 16.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-[3-[6-tert-butyl-3-(3,5-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).