N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum

C58H46N5Pt-3 — CID 162696234

About N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum

N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (PubChem CID 162696234) has the molecular formula C58H46N5Pt-3 and a molecular weight of 1008.12 g/mol. Its IUPAC name is N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 162696234
• Molecular Formula: C58H46N5Pt-3
• Molecular Weight: 1008.12 g/mol
• Exact Mass: 1007.34
• IUPAC Name: N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• SMILES: [Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)cccc1N(c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)C3CC4CC(C3)CC2C4)ccn1)c1ccccc1
• InChI: InChI=1S/C58H46N5.Pt/c1-4-15-42(16-5-1)58(44-32-40-31-41(34-44)35-45(58)33-40)43-29-30-59-57(36-43)63-53-24-11-10-23-51(53)52-28-27-50(38-56(52)63)62(47-19-8-3-9-20-47)49-22-14-21-48(37-49)61-39-60(46-17-6-2-7-18-46)54-25-12-13-26-55(54)61;/h1-30,36,39-41,44-45H,31-35H2;/q-3
• InChIKey: CTFLPJLNKWVCLW-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.12
LogP ≤ 5	14.40
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 N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (CID 162696234) is N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

What is the SMILES notation for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The canonical SMILES for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is [Pt].[c-]1c(N2[CH-]N(c3ccccc3)c3ccccc32)cccc1N(c1[c-]c2c(cc1)c1ccccc1n2-c1cc(C2(c3ccccc3)C3CC4CC(C3)CC2C4)ccn1)c1ccccc1.

What is the InChIKey of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The InChIKey is CTFLPJLNKWVCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N5.Pt/c1-4-15-42(16-5-1)58(44-32-40-31-41(34-44)35-45(58)33-40)43-29-30-59-57(36-43)63-53-24-11-10-23-51(53)52-28-27-50(38-56(52)63)62(47-19-8-3-9-20-47)49-22-14-21-48(37-49)61-39-60(46-17-6-2-7-18-46)54-25-12-13-26-55(54)61;/h1-30,36,39-41,44-45H,31-35H2;/q-3;.

What are the key properties of N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 1008.12 g/mol, XLogP of 14.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 162696234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).