6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one

C₁₀₃H₆₉N₃O₉ — CID 158280613

About 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one

6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one (PubChem CID 158280613) has the molecular formula C₁₀₃H₆₉N₃O₉ and a molecular weight of 1492.70 g/mol. Its IUPAC name is 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one.

Molecular Properties

• Compound Name: 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one
• PubChem CID: 158280613
• Molecular Formula: C₁₀₃H₆₉N₃O₉
• Molecular Weight: 1492.70 g/mol
• Exact Mass: 1491.50
• IUPAC Name: 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one
• SMILES: Cc1cc(=O)c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2o1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)OCC2=O.O=C1COc2cc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)ccc21
• InChI: InChI=1S/C35H23NO3.C35H25NO3.C33H21NO3/c1-22-20-31(37)24-19-18-23(21-34(24)38-22)36-29-14-6-2-10-25(29)35(26-11-3-7-15-30(26)36)27-12-4-8-16-32(27)39-33-17-9-5-13-28(33)35;1-21-11-15-29-27(17-21)35(25-7-3-5-9-32(25)39-33-10-6-4-8-26(33)35)28-18-22(2)12-16-30(28)36(29)23-13-14-24-31(37)20-38-34(24)19-23;35-29-20-36-32-19-21(17-18-22(29)32)34-27-13-5-1-9-23(27)33(24-10-2-6-14-28(24)34)25-11-3-7-15-30(25)37-31-16-8-4-12-26(31)33/h2-21H,1H3;3-19H,20H2,1-2H3;1-19H,20H2
• InChIKey: GKDWZAMORKFADB-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 120.22 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.70
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one?

The IUPAC name of 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one (CID 158280613) is 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one.

What is the SMILES notation for 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one?

The canonical SMILES for 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one is Cc1cc(=O)c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2o1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)OCC2=O.O=C1COc2cc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)ccc21.

What is the InChIKey of 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one?

The InChIKey is GKDWZAMORKFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO3.C35H25NO3.C33H21NO3/c1-22-20-31(37)24-19-18-23(21-34(24)38-22)36-29-14-6-2-10-25(29)35(26-11-3-7-15-30(26)36)27-12-4-8-16-32(27)39-33-17-9-5-13-28(33)35;1-21-11-15-29-27(17-21)35(25-7-3-5-9-32(25)39-33-10-6-4-8-26(33)35)28-18-22(2)12-16-30(28)36(29)23-13-14-24-31(37)20-38-34(24)19-23;35-29-20-36-32-19-21(17-18-22(29)32)34-27-13-5-1-9-23(27)33(24-10-2-6-14-28(24)34)25-11-3-7-15-30(25)37-31-16-8-4-12-26(31)33/h2-21H,1H3;3-19H,20H2,1-2H3;1-19H,20H2.

What are the key properties of 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one?

6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one has a molecular weight of 1492.70 g/mol, XLogP of 24.06, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-1-benzofuran-3-one;2-methyl-7-spiro[acridine-9,9'-xanthene]-10-ylchromen-4-one;6-spiro[acridine-9,9'-xanthene]-10-yl-1-benzofuran-3-one is sourced from PubChem (CID 158280613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158280613 — identifiers, structure, computed properties (public domain)

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