6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile

C101H60N12O2 — CID 157298075

About 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile

6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile (PubChem CID 157298075) has the molecular formula C101H60N12O2 and a molecular weight of 1473.67 g/mol. Its IUPAC name is 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
• PubChem CID: 157298075
• Molecular Formula: C101H60N12O2
• Molecular Weight: 1473.67 g/mol
• Exact Mass: 1472.50
• IUPAC Name: 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
• SMILES: [C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C38H22N4O.C38H24N4.C25H14N4O/c1-40-32-22-25(23-39)24-41-37(32)26-18-20-27(21-19-26)42-33-14-6-2-10-28(33)38(29-11-3-7-15-34(29)42)30-12-4-8-16-35(30)43-36-17-9-5-13-31(36)38;1-40-34-24-27(25-39)26-41-37(34)28-20-22-31(23-21-28)42-35-18-10-8-16-32(35)38(29-12-4-2-5-13-29,30-14-6-3-7-15-30)33-17-9-11-19-36(33)42;1-27-20-14-17(15-26)16-28-25(20)18-10-12-19(13-11-18)29-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)29/h2-22,24H;2-24,26H;2-14,16H
• InChIKey: BBOPEQOOOFUXAR-UHFFFAOYSA-N
• XLogP: 25.53
• TPSA: 151.30 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.67
LogP ≤ 5	25.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile?

The IUPAC name of 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile (CID 157298075) is 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile.

What is the SMILES notation for 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile?

The canonical SMILES for 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile is [C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)cnc1-c1ccc(N2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile?

The InChIKey is BBOPEQOOOFUXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O.C38H24N4.C25H14N4O/c1-40-32-22-25(23-39)24-41-37(32)26-18-20-27(21-19-26)42-33-14-6-2-10-28(33)38(29-11-3-7-15-34(29)42)30-12-4-8-16-35(30)43-36-17-9-5-13-31(36)38;1-40-34-24-27(25-39)26-41-37(34)28-20-22-31(23-21-28)42-35-18-10-8-16-32(35)38(29-12-4-2-5-13-29,30-14-6-3-7-15-30)33-17-9-11-19-36(33)42;1-27-20-14-17(15-26)16-28-25(20)18-10-12-19(13-11-18)29-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)29/h2-22,24H;2-24,26H;2-14,16H.

What are the key properties of 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile?

6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 1473.67 g/mol, XLogP of 25.53, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 157298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).