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

C41H28N5OPt-3 — CID 162771976

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

2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (PubChem CID 162771976) has the molecular formula C41H28N5OPt-3 and a molecular weight of 801.79 g/mol. Its IUPAC name is 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

Molecular Properties

• Compound Name: 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
• PubChem CID: 162771976
• Molecular Formula: C41H28N5OPt-3
• Molecular Weight: 801.79 g/mol
• Exact Mass: 801.20
• IUPAC Name: 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
• SMILES: Cc1nc2n(c1C)[CH-]N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)cc(-c3ccccc3)c1)c1ccccc1-2.[Pt]
• InChI: InChI=1S/C41H28N5O.Pt/c1-27-28(2)44-26-45(37-16-8-7-15-36(37)41(44)43-27)31-22-30(29-12-4-3-5-13-29)23-33(24-31)47-32-19-20-35-34-14-6-9-17-38(34)46(39(35)25-32)40-18-10-11-21-42-40;/h3-23,26H,1-2H3;/q-3
• InChIKey: RXCILDPPYDZKEN-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.79
LogP ≤ 5	9.84
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 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The IUPAC name of 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (CID 162771976) is 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

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

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

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

The InChIKey is RXCILDPPYDZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N5O.Pt/c1-27-28(2)44-26-45(37-16-8-7-15-36(37)41(44)43-27)31-22-30(29-12-4-3-5-13-29)23-33(24-31)47-32-19-20-35-34-14-6-9-17-38(34)46(39(35)25-32)40-18-10-11-21-42-40;/h3-23,26H,1-2H3;/q-3;.

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

2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum has a molecular weight of 801.79 g/mol, XLogP of 9.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-6-[3-phenyl-5-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-6-id-1-yl]-5H-imidazo[1,2-c]quinazolin-5-ide;platinum is sourced from PubChem (CID 162771976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).