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

C48H24F12N2O2 — CID 134234427

IUPAC4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-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)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H24F12N2O2/c49-45(50,51)27-18-20-30(37(23-27)47(55,56)57)32-12-5-14-34-35-15-6-13-33(31-21-19-28(46(52,53)54)24-38(31)48(58,59)60)42(35)62(41(32)34)39-17-7-16-36-40(39)44(64)61(43(36)63)29-11-4-10-26(22-29)25-8-2-1-3-9-25/h1-24H
InChIKeyNISIEAKFRRLUHI-UHFFFAOYSA-N
MW888.71 g/mol
LogP14.66
Rot. Bonds5

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

4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234427) has the molecular formula C48H24F12N2O2 and a molecular weight of 888.71 g/mol. Its IUPAC name is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID134234427
Molecular FormulaC48H24F12N2O2
Molecular Weight888.71 g/mol
Exact Mass888.16
IUPAC Name4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-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)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H24F12N2O2/c49-45(50,51)27-18-20-30(37(23-27)47(55,56)57)32-12-5-14-34-35-15-6-13-33(31-21-19-28(46(52,53)54)24-38(31)48(58,59)60)42(35)62(41(32)34)39-17-7-16-36-40(39)44(64)61(43(36)63)29-11-4-10-26(22-29)25-8-2-1-3-9-25/h1-24H
InChIKeyNISIEAKFRRLUHI-UHFFFAOYSA-N
XLogP14.66
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.71
LogP ≤ 514.66
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-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239904
4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
CID 142280857
4-[4,5-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 134239969
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
7-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methyl-3H-isoindol-1-one
CID 134241711
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234238
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (CID 134234427) is 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-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)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is NISIEAKFRRLUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24F12N2O2/c49-45(50,51)27-18-20-30(37(23-27)47(55,56)57)32-12-5-14-34-35-15-6-13-33(31-21-19-28(46(52,53)54)24-38(31)48(58,59)60)42(35)62(41(32)34)39-17-7-16-36-40(39)44(64)61(43(36)63)29-11-4-10-26(22-29)25-8-2-1-3-9-25/h1-24H.
What are the key properties of 4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
4-[1,8-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 888.71 g/mol, XLogP of 14.66, 5 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-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).