N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum

C53H50N5Pt-3 — CID 155606666

About N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum

N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum (PubChem CID 155606666) has the molecular formula C53H50N5Pt-3 and a molecular weight of 952.10 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 155606666
• Molecular Formula: C53H50N5Pt-3
• Molecular Weight: 952.10 g/mol
• Exact Mass: 951.37
• IUPAC Name: N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum
• SMILES: Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(N(C)c2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C53H50N5.Pt/c1-35-26-47-48(27-36(35)2)57(34-56(47)40-20-14-11-15-21-40)43-29-39(53(6,7)8)28-41(31-43)55(9)42-32-45(37-18-12-10-13-19-37)51-44-22-16-17-23-46(44)58(49(51)33-42)50-30-38(24-25-54-50)52(3,4)5;/h10-30,32,34H,1-9H3;/q-3
• InChIKey: JWXCNQGEIXPRRO-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.10
LogP ≤ 5	13.83
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-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum (CID 155606666) is N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum.

What is the SMILES notation for N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum?

The canonical SMILES for N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum is Cc1cc2c(cc1C)N(c1ccccc1)[CH-]N2c1[c-]c(N(C)c2[c-]c3c(c(-c4ccccc4)c2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum?

The InChIKey is JWXCNQGEIXPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N5.Pt/c1-35-26-47-48(27-36(35)2)57(34-56(47)40-20-14-11-15-21-40)43-29-39(53(6,7)8)28-41(31-43)55(9)42-32-45(37-18-12-10-13-19-37)51-44-22-16-17-23-46(44)58(49(51)33-42)50-30-38(24-25-54-50)52(3,4)5;/h10-30,32,34H,1-9H3;/q-3;.

What are the key properties of N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum?

N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 952.10 g/mol, XLogP of 13.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-5-(5,6-dimethyl-3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]-9-(4-tert-butyl-2-pyridinyl)-N-methyl-4-phenyl-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 155606666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).