6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum

C53H36N5OPt-3 — CID 162772039

About 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum

6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (PubChem CID 162772039) has the molecular formula C53H36N5OPt-3 and a molecular weight of 953.98 g/mol. Its IUPAC name is 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

Molecular Properties

• Compound Name: 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
• PubChem CID: 162772039
• Molecular Formula: C53H36N5OPt-3
• Molecular Weight: 953.98 g/mol
• Exact Mass: 953.26
• IUPAC Name: 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
• SMILES: Cc1nc2n(c1C)[CH-]N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c1)c1ccccc1-2.[Pt]
• InChI: InChI=1S/C53H36N5O.Pt/c1-35-36(2)56-34-57(48-24-11-10-21-47(48)53(56)55-35)40-30-39(52-43(37-16-5-3-6-17-37)22-15-23-44(52)38-18-7-4-8-19-38)31-42(32-40)59-41-27-28-46-45-20-9-12-25-49(45)58(50(46)33-41)51-26-13-14-29-54-51;/h3-31,34H,1-2H3;/q-3
• InChIKey: MZINDIGJBHWKPJ-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.98
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The IUPAC name of 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (CID 162772039) is 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

What is the SMILES notation for 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The canonical SMILES for 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum is Cc1nc2n(c1C)[CH-]N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c1)c1ccccc1-2.[Pt].

What is the InChIKey of 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The InChIKey is MZINDIGJBHWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N5O.Pt/c1-35-36(2)56-34-57(48-24-11-10-21-47(48)53(56)55-35)40-30-39(52-43(37-16-5-3-6-17-37)22-15-23-44(52)38-18-7-4-8-19-38)31-42(32-40)59-41-27-28-46-45-20-9-12-25-49(45)58(50(46)33-41)51-26-13-14-29-54-51;/h3-31,34H,1-2H3;/q-3;.

What are the key properties of 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum has a molecular weight of 953.98 g/mol, XLogP of 13.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,6-diphenylphenyl)-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum is sourced from PubChem (CID 162772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).