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

C53H39N5OPt-2 — CID 162446641

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162446641) has the molecular formula C53H39N5OPt-2 and a molecular weight of 957.01 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162446641
• Molecular Formula: C53H39N5OPt-2
• Molecular Weight: 957.01 g/mol
• Exact Mass: 956.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C53H39N5O.Pt/c1-53(2,3)36-28-29-54-51(31-36)58-46-27-24-35(41-19-13-23-49-52(41)43-18-8-9-20-45(43)57(49)37-14-6-5-7-15-37)30-44(46)42-26-25-40(33-50(42)58)59-39-17-12-16-38(32-39)56-34-55(4)47-21-10-11-22-48(47)56;/h5-31H,1-4H3;/q-2
• InChIKey: JUVVVAJEQYLAGP-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.01
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum (CID 162446641) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is JUVVVAJEQYLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N5O.Pt/c1-53(2,3)36-28-29-54-51(31-36)58-46-27-24-35(41-19-13-23-49-52(41)43-18-8-9-20-45(43)57(49)37-14-6-5-7-15-37)30-44(46)42-26-25-40(33-50(42)58)59-39-17-12-16-38(32-39)56-34-55(4)47-21-10-11-22-48(47)56;/h5-31H,1-4H3;/q-2;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 957.01 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162446641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).