2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate

C31H30BF4N3 — CID 170458253

About 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate

2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate (PubChem CID 170458253) has the molecular formula C31H30BF4N3 and a molecular weight of 531.41 g/mol. Its IUPAC name is 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate.

Molecular Properties

• Compound Name: 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate
• PubChem CID: 170458253
• Molecular Formula: C31H30BF4N3
• Molecular Weight: 531.41 g/mol
• Exact Mass: 531.25
• IUPAC Name: 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate
• SMILES: Cc1cc(C)c(N2C[N+]3=C(NC(c4ccccc4)C3c3ccccc3)c3ccccc32)c(C)c1.F[B-](F)(F)F
• InChI: InChI=1S/C31H29N3.BF4/c1-21-18-22(2)29(23(3)19-21)33-20-34-30(25-14-8-5-9-15-25)28(24-12-6-4-7-13-24)32-31(34)26-16-10-11-17-27(26)33;2-1(3,4)5/h4-19,28,30H,20H2,1-3H3;/q;-1/p+1
• InChIKey: UGTKVLMSSDGGHX-UHFFFAOYSA-O
• XLogP: 7.87
• TPSA: 18.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.41
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate?

The IUPAC name of 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate (CID 170458253) is 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate.

What is the SMILES notation for 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate?

The canonical SMILES for 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate is Cc1cc(C)c(N2C[N+]3=C(NC(c4ccccc4)C3c3ccccc3)c3ccccc32)c(C)c1.F[B-](F)(F)F.

What is the InChIKey of 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate?

The InChIKey is UGTKVLMSSDGGHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H29N3.BF4/c1-21-18-22(2)29(23(3)19-21)33-20-34-30(25-14-8-5-9-15-25)28(24-12-6-4-7-13-24)32-31(34)26-16-10-11-17-27(26)33;2-1(3,4)5/h4-19,28,30H,20H2,1-3H3;/q;-1/p+1.

What are the key properties of 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate?

2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate has a molecular weight of 531.41 g/mol, XLogP of 7.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate is sourced from PubChem (CID 170458253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).