N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum

C37H28N5OPt- — CID 162465237

About N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum

N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum (PubChem CID 162465237) has the molecular formula C37H28N5OPt- and a molecular weight of 753.74 g/mol. Its IUPAC name is N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 162465237
• Molecular Formula: C37H28N5OPt-
• Molecular Weight: 753.74 g/mol
• Exact Mass: 753.19
• IUPAC Name: N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum
• SMILES: Cc1ccnc(-n2c3[c-]c(N(c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C37H27N5O.Pt/c1-26-21-22-38-37(23-26)41-33-16-7-6-15-31(33)32-20-19-29(25-36(32)41)40(27-11-4-3-5-12-27)28-13-10-14-30(24-28)42-35-18-9-8-17-34(35)39(2)43-42;/h3-23H,1-2H3;/q-2;/p+1
• InChIKey: MDJVKVUQSXMVAW-UHFFFAOYSA-O
• XLogP: 8.98
• TPSA: 40.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.74
LogP ≤ 5	8.98
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': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum (CID 162465237) is N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum.

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

The canonical SMILES for N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum is Cc1ccnc(-n2c3[c-]c(N(c4[c-]c(N5[OH+]N(C)c6ccccc65)ccc4)c4ccccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is MDJVKVUQSXMVAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H27N5O.Pt/c1-26-21-22-38-37(23-26)41-33-16-7-6-15-31(33)32-20-19-29(25-36(32)41)40(27-11-4-3-5-12-27)28-13-10-14-30(24-28)42-35-18-9-8-17-34(35)39(2)43-42;/h3-23H,1-2H3;/q-2;/p+1.

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

N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 753.74 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-methyl-2,1,3-benzoxadiazol-2-ium-3-yl)benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-N-phenyl-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 162465237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).