3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one

C159H146FN9O13 — CID 159876203

IUPAC3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cc(OC)c(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1F
InChIInChI=1S/C34H34N2O4.C33H32N2O3.2C32H30N2O2.C28H20FNO2/c1-7-35(8-2)23-14-16-28-32(18-23)40-31-17-21(3)13-15-27(31)34(28)26-12-10-9-11-25(26)33(37)36(34)24-19-29(38-5)22(4)30(20-24)39-6;1-6-34(7-2)23-15-17-28-31(19-23)38-30-18-21(3)12-16-27(30)33(28)26-11-9-8-10-25(26)32(36)35(33)24-14-13-22(4)29(20-24)37-5;2*1-5-33(6-2)24-16-18-28-30(20-24)36-29-19-22(4)13-17-27(29)32(28)26-10-8-7-9-25(26)31(35)34(32)23-14-11-21(3)12-15-23;1-17-11-13-21-25(15-17)32-26-16-18(2)12-14-22(26)28(21)20-8-4-3-7-19(20)27(31)30(28)24-10-6-5-9-23(24)29/h9-20H,7-8H2,1-6H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3
InChIKeyNSXZAFUDCGYATG-UHFFFAOYSA-N
MW2409.96 g/mol
LogP35.36
Rot. Bonds20

About 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one

3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one (PubChem CID 159876203) has the molecular formula C159H146FN9O13 and a molecular weight of 2409.96 g/mol. Its IUPAC name is 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one
PubChem CID159876203
Molecular FormulaC159H146FN9O13
Molecular Weight2409.96 g/mol
Exact Mass2408.10
IUPAC Name3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cc(OC)c(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1F
InChIInChI=1S/C34H34N2O4.C33H32N2O3.2C32H30N2O2.C28H20FNO2/c1-7-35(8-2)23-14-16-28-32(18-23)40-31-17-21(3)13-15-27(31)34(28)26-12-10-9-11-25(26)33(37)36(34)24-19-29(38-5)22(4)30(20-24)39-6;1-6-34(7-2)23-15-17-28-31(19-23)38-30-18-21(3)12-16-27(30)33(28)26-11-9-8-10-25(26)32(36)35(33)24-14-13-22(4)29(20-24)37-5;2*1-5-33(6-2)24-16-18-28-30(20-24)36-29-19-22(4)13-17-27(29)32(28)26-10-8-7-9-25(26)31(35)34(32)23-14-11-21(3)12-15-23;1-17-11-13-21-25(15-17)32-26-16-18(2)12-14-22(26)28(21)20-8-4-3-7-19(20)27(31)30(28)24-10-6-5-9-23(24)29/h9-20H,7-8H2,1-6H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3
InChIKeyNSXZAFUDCGYATG-UHFFFAOYSA-N
XLogP35.36
TPSA188.35 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.96
LogP ≤ 535.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one?
The IUPAC name of 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one (CID 159876203) is 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one is CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cc(OC)c(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)c(OC)c1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1F.
What is the InChIKey of 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one?
The InChIKey is NSXZAFUDCGYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O4.C33H32N2O3.2C32H30N2O2.C28H20FNO2/c1-7-35(8-2)23-14-16-28-32(18-23)40-31-17-21(3)13-15-27(31)34(28)26-12-10-9-11-25(26)33(37)36(34)24-19-29(38-5)22(4)30(20-24)39-6;1-6-34(7-2)23-15-17-28-31(19-23)38-30-18-21(3)12-16-27(30)33(28)26-11-9-8-10-25(26)32(36)35(33)24-14-13-22(4)29(20-24)37-5;2*1-5-33(6-2)24-16-18-28-30(20-24)36-29-19-22(4)13-17-27(29)32(28)26-10-8-7-9-25(26)31(35)34(32)23-14-11-21(3)12-15-23;1-17-11-13-21-25(15-17)32-26-16-18(2)12-14-22(26)28(21)20-8-4-3-7-19(20)27(31)30(28)24-10-6-5-9-23(24)29/h9-20H,7-8H2,1-6H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3.
What are the key properties of 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one?
3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one has a molecular weight of 2409.96 g/mol, XLogP of 35.36, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(diethylamino)-2-(3,5-dimethoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(3-methoxy-4-methylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;bis(3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one);2-(2-fluorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one is sourced from PubChem (CID 159876203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).