6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum

C39H32N5OPt-3 — CID 162771905

About 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum

6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (PubChem CID 162771905) has the molecular formula C39H32N5OPt-3 and a molecular weight of 781.80 g/mol. Its IUPAC name is 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

Molecular Properties

• Compound Name: 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum
• PubChem CID: 162771905
• Molecular Formula: C39H32N5OPt-3
• Molecular Weight: 781.80 g/mol
• Exact Mass: 781.23
• IUPAC Name: 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-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-c3cc(C(C)(C)C)ccn3)ccc1)c1ccccc1-2.[Pt]
• InChI: InChI=1S/C39H32N5O.Pt/c1-25-26(2)42-24-43(34-15-8-7-14-33(34)38(42)41-25)28-11-10-12-29(22-28)45-30-17-18-32-31-13-6-9-16-35(31)44(36(32)23-30)37-21-27(19-20-40-37)39(3,4)5;/h6-21,24H,1-5H3;/q-3
• InChIKey: DMSXXYSSFBIBSX-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.80
LogP ≤ 5	9.47
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-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The IUPAC name of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum (CID 162771905) is 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum.

What is the SMILES notation for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The canonical SMILES for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-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-c3cc(C(C)(C)C)ccn3)ccc1)c1ccccc1-2.[Pt].

What is the InChIKey of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

The InChIKey is DMSXXYSSFBIBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N5O.Pt/c1-25-26(2)42-24-43(34-15-8-7-14-33(34)38(42)41-25)28-11-10-12-29(22-28)45-30-17-18-32-31-13-6-9-16-35(31)44(36(32)23-30)37-21-27(19-20-40-37)39(3,4)5;/h6-21,24H,1-5H3;/q-3;.

What are the key properties of 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum?

6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum has a molecular weight of 781.80 g/mol, XLogP of 9.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2,3-dimethyl-5H-imidazo[1,2-c]quinazolin-5-ide;platinum is sourced from PubChem (CID 162771905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).