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

C54H59N4OPt-3 — CID 155651228

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

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155651228) has the molecular formula C54H59N4OPt-3 and a molecular weight of 975.17 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155651228
• Molecular Formula: C54H59N4OPt-3
• Molecular Weight: 975.17 g/mol
• Exact Mass: 974.44
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CCC(C)(CC)c1ccc2c(c1)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C54H59N4O.Pt/c1-13-54(12,14-2)38-22-25-47-49(31-38)56(40-19-17-18-36(28-40)51(3,4)5)35-57(47)41-29-39(53(9,10)11)30-43(33-41)59-42-23-24-45-44-20-15-16-21-46(44)58(48(45)34-42)50-32-37(26-27-55-50)52(6,7)8;/h15-32,35H,13-14H2,1-12H3;/q-3
• InChIKey: WTBLUWVPPATNKM-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.17
LogP ≤ 5	14.95
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 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155651228) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CCC(C)(CC)c1ccc2c(c1)N(c1cccc(C(C)(C)C)c1)[CH-]N2c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is WTBLUWVPPATNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H59N4O.Pt/c1-13-54(12,14-2)38-22-25-47-49(31-38)56(40-19-17-18-36(28-40)51(3,4)5)35-57(47)41-29-39(53(9,10)11)30-43(33-41)59-42-23-24-45-44-20-15-16-21-46(44)58(48(45)34-42)50-32-37(26-27-55-50)52(6,7)8;/h15-32,35H,13-14H2,1-12H3;/q-3;.

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

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 975.17 g/mol, XLogP of 14.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(3-methylpentan-3-yl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155651228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).