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

C58H51N4OPt-3 — CID 162449540

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

2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162449540) has the molecular formula C58H51N4OPt-3 and a molecular weight of 1015.15 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162449540
• Molecular Formula: C58H51N4OPt-3
• Molecular Weight: 1015.15 g/mol
• Exact Mass: 1014.37
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)ccc3)c3ccc(C(C)(C)c4ccccc4)cc32)c1.[Pt]
• InChI: InChI=1S/C58H51N4O.Pt/c1-56(2,3)42-22-16-23-45(34-42)61-39-60(52-31-28-43(35-54(52)61)57(4,5)40-18-10-8-11-19-40)46-24-17-25-47(37-46)63-48-29-30-50-49-26-14-15-27-51(49)62(53(50)38-48)55-36-44(32-33-59-55)58(6,7)41-20-12-9-13-21-41;/h8-36,39H,1-7H3;/q-3
• InChIKey: XGQYFPINMVTHDY-UHFFFAOYSA-N
• XLogP: 14.93
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.15
LogP ≤ 5	14.93
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-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162449540) is 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)ccc3)c3ccc(C(C)(C)c4ccccc4)cc32)c1.[Pt].

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

The InChIKey is XGQYFPINMVTHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N4O.Pt/c1-56(2,3)42-22-16-23-45(34-42)61-39-60(52-31-28-43(35-54(52)61)57(4,5)40-18-10-8-11-19-40)46-24-17-25-47(37-46)63-48-29-30-50-49-26-14-15-27-51(49)62(53(50)38-48)55-36-44(32-33-59-55)58(6,7)41-20-12-9-13-21-41;/h8-36,39H,1-7H3;/q-3;.

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

2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1015.15 g/mol, XLogP of 14.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162449540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).