2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

C112H78F6N10O10 — CID 158322648

IUPAC2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(C)C2=O.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1cccc2c3cccc(C(F)(F)F)c3n(-c3cccc4c3C(=O)N(C)C4=O)c12.Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c12
InChIInChI=1S/2C23H15F3N2O2.3C22H16N2O2/c1-12-6-3-7-13-14-8-4-10-16(23(24,25)26)20(14)28(19(12)13)17-11-5-9-15-18(17)22(30)27(2)21(15)29;1-12-6-8-14-15-9-7-13(23(24,25)26)11-19(15)28(18(14)10-12)17-5-3-4-16-20(17)22(30)27(2)21(16)29;1-13-7-5-9-15-14-8-3-4-11-17(14)24(20(13)15)18-12-6-10-16-19(18)22(26)23(2)21(16)25;1-13-10-11-15-14-6-3-4-8-17(14)24(19(15)12-13)18-9-5-7-16-20(18)22(26)23(2)21(16)25;1-13-10-11-18-16(12-13)14-6-3-4-8-17(14)24(18)19-9-5-7-15-20(19)22(26)23(2)21(15)25/h2*3-11H,1-2H3;3*3-12H,1-2H3
InChIKeyGPAOWBYISNDCNW-UHFFFAOYSA-N
MW1837.90 g/mol
LogP23.63
Rot. Bonds5

About 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione

2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 158322648) has the molecular formula C112H78F6N10O10 and a molecular weight of 1837.90 g/mol. Its IUPAC name is 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
PubChem CID158322648
Molecular FormulaC112H78F6N10O10
Molecular Weight1837.90 g/mol
Exact Mass1836.58
IUPAC Name2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(C)C2=O.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1cccc2c3cccc(C(F)(F)F)c3n(-c3cccc4c3C(=O)N(C)C4=O)c12.Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c12
InChIInChI=1S/2C23H15F3N2O2.3C22H16N2O2/c1-12-6-3-7-13-14-8-4-10-16(23(24,25)26)20(14)28(19(12)13)17-11-5-9-15-18(17)22(30)27(2)21(15)29;1-12-6-8-14-15-9-7-13(23(24,25)26)11-19(15)28(18(14)10-12)17-5-3-4-16-20(17)22(30)27(2)21(16)29;1-13-7-5-9-15-14-8-3-4-11-17(14)24(20(13)15)18-12-6-10-16-19(18)22(26)23(2)21(16)25;1-13-10-11-15-14-6-3-4-8-17(14)24(19(15)12-13)18-9-5-7-16-20(18)22(26)23(2)21(16)25;1-13-10-11-18-16(12-13)14-6-3-4-8-17(14)24(18)19-9-5-7-15-20(19)22(26)23(2)21(15)25/h2*3-11H,1-2H3;3*3-12H,1-2H3
InChIKeyGPAOWBYISNDCNW-UHFFFAOYSA-N
XLogP23.63
TPSA211.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.90
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione with MolForge

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Related Compounds

10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione
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10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione
CID 373648
5,5'-(Hexafluoro-2,2-propanediyl)bis[2-(9-ethyl-9H-carbazole-3-yl)isoindoline-1,3-dione]
CID 102290993
2-Methyl-5-[2-[4-[2-methyl-4-[5-[2-[4-(4-methyl-2-pyridin-3-ylphenyl)-3-pyridin-3-ylphenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 117826198
4-(3,6-Dimethylcarbazol-9-yl)-5,6,7-trifluoro-2-phenylisoindole-1,3-dione
CID 118972407
2-(9-Ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione
CID 130417548
4-[2,7-Bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233871
4-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233872
2-(3-Phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233873
2-(3-Phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233876
2-(2-Phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
2-(2-Phenylphenyl)-4-[2-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione (CID 158322648) is 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(C)C2=O.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c2c1.Cc1cccc2c3cccc(C(F)(F)F)c3n(-c3cccc4c3C(=O)N(C)C4=O)c12.Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(C)C4=O)c12.
What is the InChIKey of 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is GPAOWBYISNDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H15F3N2O2.3C22H16N2O2/c1-12-6-3-7-13-14-8-4-10-16(23(24,25)26)20(14)28(19(12)13)17-11-5-9-15-18(17)22(30)27(2)21(15)29;1-12-6-8-14-15-9-7-13(23(24,25)26)11-19(15)28(18(14)10-12)17-5-3-4-16-20(17)22(30)27(2)21(16)29;1-13-7-5-9-15-14-8-3-4-11-17(14)24(20(13)15)18-12-6-10-16-19(18)22(26)23(2)21(16)25;1-13-10-11-15-14-6-3-4-8-17(14)24(19(15)12-13)18-9-5-7-16-20(18)22(26)23(2)21(16)25;1-13-10-11-18-16(12-13)14-6-3-4-8-17(14)24(18)19-9-5-7-15-20(19)22(26)23(2)21(15)25/h2*3-11H,1-2H3;3*3-12H,1-2H3.
What are the key properties of 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione?
2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 1837.90 g/mol, XLogP of 23.63, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione;2-methyl-4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 158322648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).