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

C50H44N5Pt-3 — CID 155651161

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

N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum (PubChem CID 155651161) has the molecular formula C50H44N5Pt-3 and a molecular weight of 910.02 g/mol. Its IUPAC name is N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 155651161
• Molecular Formula: C50H44N5Pt-3
• Molecular Weight: 910.02 g/mol
• Exact Mass: 909.33
• IUPAC Name: N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• SMILES: CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C50H44N5.Pt/c1-49(2,3)35-16-14-19-38(30-35)52-34-53(46-25-13-12-24-45(46)52)39-20-15-21-40(32-39)54(37-17-8-7-9-18-37)41-26-27-43-42-22-10-11-23-44(42)55(47(43)33-41)48-31-36(28-29-51-48)50(4,5)6;/h7-31,34H,1-6H3;/q-3
• InChIKey: FCJBLJLCMGYKRH-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.02
LogP ≤ 5	13.25
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-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum (CID 155651161) is N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

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

The canonical SMILES for N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum is CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(N(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4ccccc4)ccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is FCJBLJLCMGYKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N5.Pt/c1-49(2,3)35-16-14-19-38(30-35)52-34-53(46-25-13-12-24-45(46)52)39-20-15-21-40(32-39)54(37-17-8-7-9-18-37)41-26-27-43-42-22-10-11-23-44(42)55(47(43)33-41)48-31-36(28-29-51-48)50(4,5)6;/h7-31,34H,1-6H3;/q-3;.

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

N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 910.02 g/mol, XLogP of 13.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 155651161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).