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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one

C137H132N8O8 — CID 158978654

IUPAC3'-(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-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)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C
InChIInChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.C32H30N2O2/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/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;7-20H,5-6H2,1-4H3
InChIKeyJOSCQCYTJZOQFU-UHFFFAOYSA-N
MW2018.61 g/mol
LogP31.92
Rot. Bonds18

About 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-naphthalen-1-ylspiro[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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one (PubChem CID 158978654) has the molecular formula C137H132N8O8 and a molecular weight of 2018.61 g/mol. Its IUPAC name is 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-(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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one
PubChem CID158978654
Molecular FormulaC137H132N8O8
Molecular Weight2018.61 g/mol
Exact Mass2017.02
IUPAC Name3'-(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-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)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C
InChIInChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.C32H30N2O2/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/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;7-20H,5-6H2,1-4H3
InChIKeyJOSCQCYTJZOQFU-UHFFFAOYSA-N
XLogP31.92
TPSA131.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002018.61
LogP ≤ 531.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The IUPAC name of 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one (CID 158978654) is 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one.
What is the SMILES notation for 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The canonical SMILES for 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-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)N1c1cccc2ccccc12.CCN(CC)c1ccc2c(c1)Oc1cc(C)ccc1C21c2ccccc2C(=O)N1c1ccccc1C.
What is the InChIKey of 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one?
The InChIKey is JOSCQCYTJZOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2O2.C35H30N2O2.C33H32N2O2.C32H30N2O2/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/h10-24H,8-9H2,1-7H3;6-22H,4-5H2,1-3H3;8-20H,6-7H2,1-5H3;7-20H,5-6H2,1-4H3.
What are the key properties of 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-naphthalen-1-ylspiro[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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one has a molecular weight of 2018.61 g/mol, XLogP of 31.92, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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-naphthalen-1-ylspiro[isoindole-3,9'-xanthene]-1-one is sourced from PubChem (CID 158978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).