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

IUPAC6-(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
SMILESCc1cc(=O)c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2o1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)OCC2=O.O=C1COc2cc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)ccc21
InChIInChI=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
InChIKeyGKDWZAMORKFADB-UHFFFAOYSA-N
MW1492.70 g/mol
LogP24.06
Rot. Bonds3

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 Name6-(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 CID158280613
Molecular FormulaC103H69N3O9
Molecular Weight1492.70 g/mol
Exact Mass1491.50
IUPAC Name6-(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
SMILESCc1cc(=O)c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2o1.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)OCC2=O.O=C1COc2cc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)ccc21
InChIInChI=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
InChIKeyGKDWZAMORKFADB-UHFFFAOYSA-N
XLogP24.06
TPSA120.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.70
LogP ≤ 524.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

2-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)chromen-4-one
CID 160607697
6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159841201
3-(17,25-dimethyl-8-oxa-21-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2,4,6,9,11,13,15(20),16,18,23,25-dodecaen-21-yl)xanthen-9-one
CID 121420467
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
7-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-2,4-dimethylisoquinolin-1-one;2,4-dimethyl-7-spiro[acridine-9,9'-fluorene]-10-ylisoquinolin-1-one;2,4-dimethyl-7-spiro[acridine-9,9'-xanthene]-10-ylisoquinolin-1-one;2,4-dimethyl-7-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-ylisoquinolin-1-one;7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2,4-dimethylisoquinolin-1-one
CID 159453482
14-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-xanthene]
CID 177278079
6-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenyl-3H-isoindol-1-one;6-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-phenyl-3H-isoindol-1-one;2-phenyl-6-spiro[acridine-9,9'-fluorene]-10-yl-3H-isoindol-1-one;2-phenyl-6-spiro[acridine-9,9'-xanthene]-10-yl-3H-isoindol-1-one;2-phenyl-6-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-yl-3H-isoindol-1-one
CID 161189686
2',7'-dimethyl-7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-xanthene]
CID 177278379
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-3-methyl-1-phenylquinolin-4-one;3-methyl-1-phenyl-6-(N-phenylanilino)quinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-thioxanthene]-10-ylquinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-xanthene]-10-ylquinolin-4-one
CID 161206904
2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 177278267
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039

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).