4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

C46H26F6N2O2 — CID 142280758

IUPAC4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)31-23-30(24-32(26-31)46(50,51)52)29-21-22-36-35-15-7-8-19-38(35)53(40(36)25-29)39-20-10-18-37-41(39)44(56)54(43(37)55)42-33(27-11-3-1-4-12-27)16-9-17-34(42)28-13-5-2-6-14-28/h1-26H
InChIKeyDHHNYTVBZHPHBV-UHFFFAOYSA-N
MW752.71 g/mol
LogP12.62
Rot. Bonds5

About 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione

4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (PubChem CID 142280758) has the molecular formula C46H26F6N2O2 and a molecular weight of 752.71 g/mol. Its IUPAC name is 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
PubChem CID142280758
Molecular FormulaC46H26F6N2O2
Molecular Weight752.71 g/mol
Exact Mass752.19
IUPAC Name4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C46H26F6N2O2/c47-45(48,49)31-23-30(24-32(26-31)46(50,51)52)29-21-22-36-35-15-7-8-19-38(35)53(40(36)25-29)39-20-10-18-37-41(39)44(56)54(43(37)55)42-33(27-11-3-1-4-12-27)16-9-17-34(42)28-13-5-2-6-14-28/h1-26H
InChIKeyDHHNYTVBZHPHBV-UHFFFAOYSA-N
XLogP12.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.71
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,3-diphenylphenyl)isoindole-1,3-dione
CID 157124041
5-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234517
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 157465983
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;ethane;(3E)-5-methyl-3-(trifluoromethyl)hexa-1,3-diene;bis(prop-1-ene)
CID 142280722

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione (CID 142280758) is 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c2C(=O)N1c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is DHHNYTVBZHPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F6N2O2/c47-45(48,49)31-23-30(24-32(26-31)46(50,51)52)29-21-22-36-35-15-7-8-19-38(35)53(40(36)25-29)39-20-10-18-37-41(39)44(56)54(43(37)55)42-33(27-11-3-1-4-12-27)16-9-17-34(42)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione?
4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 752.71 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 142280758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).