2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one

C197H182ClN11O12 — CID 157293532

IUPAC2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C(C)C)cccc1C(C)C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C)cccc1C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.2C32H30N2O2.C28H20ClNO2/c1-8-38(9-2)26-18-20-32-34(22-26)41-33-21-25(7)17-19-31(33)37(32)30-16-11-10-13-29(30)36(40)39(37)35-27(23(3)4)14-12-15-28(35)24(5)6;1-4-36(5-2)25-18-20-30-33(22-25)39-32-21-23(3)17-19-29(32)35(30)28-15-9-8-14-27(28)34(38)37(35)31-16-10-12-24-11-6-7-13-26(24)31;1-6-34(7-2)24-16-18-28-30(20-24)37-29-19-21(3)15-17-27(29)33(28)26-14-9-8-13-25(26)32(36)35(33)31-22(4)11-10-12-23(31)5;1-5-33(6-2)23-16-18-27-30(20-23)36-29-19-21(3)15-17-26(29)32(27)25-13-9-8-12-24(25)31(35)34(32)28-14-10-7-11-22(28)4;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;1-17-10-12-23-25(14-17)32-26-15-18(2)11-13-24(26)28(23)22-9-4-3-8-21(22)27(31)30(28)20-7-5-6-19(29)16-20/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3
InChIKeyBBBQJMVJOIAZIQ-UHFFFAOYSA-N
MW2931.14 g/mol
LogP46.14
Rot. Bonds23

About 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one

2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one (PubChem CID 157293532) has the molecular formula C197H182ClN11O12 and a molecular weight of 2931.14 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one
PubChem CID157293532
Molecular FormulaC197H182ClN11O12
Molecular Weight2931.14 g/mol
Exact Mass2928.37
IUPAC Name2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C(C)C)cccc1C(C)C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C)cccc1C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.2C32H30N2O2.C28H20ClNO2/c1-8-38(9-2)26-18-20-32-34(22-26)41-33-21-25(7)17-19-31(33)37(32)30-16-11-10-13-29(30)36(40)39(37)35-27(23(3)4)14-12-15-28(35)24(5)6;1-4-36(5-2)25-18-20-30-33(22-25)39-32-21-23(3)17-19-29(32)35(30)28-15-9-8-14-27(28)34(38)37(35)31-16-10-12-24-11-6-7-13-26(24)31;1-6-34(7-2)24-16-18-28-30(20-24)37-29-19-21(3)15-17-27(29)33(28)26-14-9-8-13-25(26)32(36)35(33)31-22(4)11-10-12-23(31)5;1-5-33(6-2)23-16-18-27-30(20-23)36-29-19-21(3)15-17-26(29)32(27)25-13-9-8-12-24(25)31(35)34(32)28-14-10-7-11-22(28)4;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;1-17-10-12-23-25(14-17)32-26-15-18(2)11-13-24(26)28(23)22-9-4-3-8-21(22)27(31)30(28)20-7-5-6-19(29)16-20/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3
InChIKeyBBBQJMVJOIAZIQ-UHFFFAOYSA-N
XLogP46.14
TPSA193.44 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.14
LogP ≤ 546.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The IUPAC name of 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one (CID 157293532) is 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one is CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C(C)C)cccc1C(C)C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1c(C)cccc1C.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccc(C)cc1.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C.Cc1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The InChIKey is BBBQJMVJOIAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.2C32H30N2O2.C28H20ClNO2/c1-8-38(9-2)26-18-20-32-34(22-26)41-33-21-25(7)17-19-31(33)37(32)30-16-11-10-13-29(30)36(40)39(37)35-27(23(3)4)14-12-15-28(35)24(5)6;1-4-36(5-2)25-18-20-30-33(22-25)39-32-21-23(3)17-19-29(32)35(30)28-15-9-8-14-27(28)34(38)37(35)31-16-10-12-24-11-6-7-13-26(24)31;1-6-34(7-2)24-16-18-28-30(20-24)37-29-19-21(3)15-17-27(29)33(28)26-14-9-8-13-25(26)32(36)35(33)31-22(4)11-10-12-23(31)5;1-5-33(6-2)23-16-18-27-30(20-23)36-29-19-21(3)15-17-26(29)32(27)25-13-9-8-12-24(25)31(35)34(32)28-14-10-7-11-22(28)4;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;1-17-10-12-23-25(14-17)32-26-15-18(2)11-13-24(26)28(23)22-9-4-3-8-21(22)27(31)30(28)20-7-5-6-19(29)16-20/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;2*7-20H,5-6H2,1-4H3;3-16H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one has a molecular weight of 2931.14 g/mol, XLogP of 46.14, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3',6'-dimethylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-(2,6-dimethylphenyl)-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-2-[2,6-di(propan-2-yl)phenyl]-6'-methylspiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(2-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-(4-methylphenyl)spiro[isoindole-3,9'-xanthene]-1-one;3'-(diethylamino)-6'-methyl-2-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one is sourced from PubChem (CID 157293532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).