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

C53H26F12N4O2 — CID 163732176

IUPAC2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)ncc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C53H26F12N4O2/c54-50(55,56)31-17-29(18-32(23-31)51(57,58)59)27-13-15-43-39(21-27)35-7-3-5-11-41(35)67(43)46-26-66-47(25-45(46)69-48(70)37-9-1-2-10-38(37)49(69)71)68-42-12-6-4-8-36(42)40-22-28(14-16-44(40)68)30-19-33(52(60,61)62)24-34(20-30)53(63,64)65/h1-26H
InChIKeyLANGIXTXIWCVPS-UHFFFAOYSA-N
MW978.79 g/mol
LogP15.49
Rot. Bonds5

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

2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione (PubChem CID 163732176) has the molecular formula C53H26F12N4O2 and a molecular weight of 978.79 g/mol. Its IUPAC name is 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
PubChem CID163732176
Molecular FormulaC53H26F12N4O2
Molecular Weight978.79 g/mol
Exact Mass978.19
IUPAC Name2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)ncc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C53H26F12N4O2/c54-50(55,56)31-17-29(18-32(23-31)51(57,58)59)27-13-15-43-39(21-27)35-7-3-5-11-41(35)67(43)46-26-66-47(25-45(46)69-48(70)37-9-1-2-10-38(37)49(69)71)68-42-12-6-4-8-36(42)40-22-28(14-16-44(40)68)30-19-33(52(60,61)62)24-34(20-30)53(63,64)65/h1-26H
InChIKeyLANGIXTXIWCVPS-UHFFFAOYSA-N
XLogP15.49
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.79
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452400
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 157300764
5-[9-[5-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-pyridinyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 162572240
3-[2,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146394115
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 142280758
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
2-[2,5-bis[3-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546497
2-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-cyanophenyl]benzonitrile
CID 138736607
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The IUPAC name of 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione (CID 163732176) is 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)ncc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
The InChIKey is LANGIXTXIWCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H26F12N4O2/c54-50(55,56)31-17-29(18-32(23-31)51(57,58)59)27-13-15-43-39(21-27)35-7-3-5-11-41(35)67(43)46-26-66-47(25-45(46)69-48(70)37-9-1-2-10-38(37)49(69)71)68-42-12-6-4-8-36(42)40-22-28(14-16-44(40)68)30-19-33(52(60,61)62)24-34(20-30)53(63,64)65/h1-26H.
What are the key properties of 2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione?
2-[2,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione has a molecular weight of 978.79 g/mol, XLogP of 15.49, 5 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-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 163732176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).