2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione

C39H20F6N4O2 — CID 163799859

IUPAC2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C39H20F6N4O2/c40-38(41,42)21-13-15-31-27(17-21)23-7-3-5-11-29(23)47(31)34-20-46-35(19-33(34)49-36(50)25-9-1-2-10-26(25)37(49)51)48-30-12-6-4-8-24(30)28-18-22(39(43,44)45)14-16-32(28)48/h1-20H
InChIKeyNEASQKTZQUEHRF-UHFFFAOYSA-N
MW690.60 g/mol
LogP10.11
Rot. Bonds3

About 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione

2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione (PubChem CID 163799859) has the molecular formula C39H20F6N4O2 and a molecular weight of 690.60 g/mol. Its IUPAC name is 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
PubChem CID163799859
Molecular FormulaC39H20F6N4O2
Molecular Weight690.60 g/mol
Exact Mass690.15
IUPAC Name2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C39H20F6N4O2/c40-38(41,42)21-13-15-31-27(17-21)23-7-3-5-11-29(23)47(31)34-20-46-35(19-33(34)49-36(50)25-9-1-2-10-26(25)37(49)51)48-30-12-6-4-8-24(30)28-18-22(39(43,44)45)14-16-32(28)48/h1-20H
InChIKeyNEASQKTZQUEHRF-UHFFFAOYSA-N
XLogP10.11
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.60
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 53375782
5-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 10649919
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 70692461
3-(4-methylimidazol-1-yl)-N-[3-[[(3Z)-3-[(1-methylpyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 70681819
US11840535, Example 21
CID 146293323
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
CID 44570243
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-4-(trifluoromethyl)-N-[4-(trifluoromethyl)benzoyl]benzamide
CID 44570244
5-methyl-2-[(1R)-3-methyl-1-[1-[[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methyl]benzimidazol-2-yl]butyl]isoindole-1,3-dione
CID 172446173
BenzaMide, N-[4-[8-aMino-3-(1-Methylethyl)iMidazo[1,5-a]pyrazin-1-yl]-1-naphthalenyl]-3-(trifluoroMethyl)-
CID 60196243
(5R)-5-(4-fluorophenyl)-2-imino-3-[[3-[2-(1-methylindol-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-4-(trifluoromethyl)phenyl]methyl]-5-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 145998504
13,14-Di(carbazol-9-yl)-2,2-difluoro-1,9-diaza-3-azonia-2-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-17-one
CID 168353728
2-(3-(9-methyl-6H-indolo[2,3-b]quinoxalin-6-yl)propyl)isoindoline-1,3-dione
CID 1528940

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The IUPAC name of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione (CID 163799859) is 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)ncc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The InChIKey is NEASQKTZQUEHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H20F6N4O2/c40-38(41,42)21-13-15-31-27(17-21)23-7-3-5-11-29(23)47(31)34-20-46-35(19-33(34)49-36(50)25-9-1-2-10-26(25)37(49)51)48-30-12-6-4-8-24(30)28-18-22(39(43,44)45)14-16-32(28)48/h1-20H.
What are the key properties of 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione has a molecular weight of 690.60 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 163799859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).