4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione

C42H20F12N2O2 — CID 134239904

IUPAC4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C42H20F12N2O2/c43-39(44,45)21-15-17-24(31(19-21)41(49,50)51)26-9-4-11-28-29-12-5-10-27(25-18-16-22(40(46,47)48)20-32(25)42(52,53)54)36(29)56(35(26)28)33-14-6-13-30-34(33)38(58)55(37(30)57)23-7-2-1-3-8-23/h1-20H
InChIKeyNFGGVRUTABOAHN-UHFFFAOYSA-N
MW812.61 g/mol
LogP12.99
Rot. Bonds4

About 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione

4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione (PubChem CID 134239904) has the molecular formula C42H20F12N2O2 and a molecular weight of 812.61 g/mol. Its IUPAC name is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
PubChem CID134239904
Molecular FormulaC42H20F12N2O2
Molecular Weight812.61 g/mol
Exact Mass812.13
IUPAC Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C42H20F12N2O2/c43-39(44,45)21-15-17-24(31(19-21)41(49,50)51)26-9-4-11-28-29-12-5-10-27(25-18-16-22(40(46,47)48)20-32(25)42(52,53)54)36(29)56(35(26)28)33-14-6-13-30-34(33)38(58)55(37(30)57)23-7-2-1-3-8-23/h1-20H
InChIKeyNFGGVRUTABOAHN-UHFFFAOYSA-N
XLogP12.99
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.61
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione (CID 134239904) is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione is O=C1c2cccc(-n3c4c(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cccc4c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c43)c2C(=O)N1c1ccccc1.
What is the InChIKey of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The InChIKey is NFGGVRUTABOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H20F12N2O2/c43-39(44,45)21-15-17-24(31(19-21)41(49,50)51)26-9-4-11-28-29-12-5-10-27(25-18-16-22(40(46,47)48)20-32(25)42(52,53)54)36(29)56(35(26)28)33-14-6-13-30-34(33)38(58)55(37(30)57)23-7-2-1-3-8-23/h1-20H.
What are the key properties of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione?
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione has a molecular weight of 812.61 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 134239904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).