4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C60H35F9N2O2 — CID 134234394

IUPAC4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C60H35F9N2O2/c1-34-24-40(26-43(25-34)58(61,62)63)38-20-22-46-47-23-21-39(41-27-44(59(64,65)66)33-45(28-41)60(67,68)69)32-53(47)70(52(46)31-38)51-19-11-18-48-54(51)57(73)71(56(48)72)55-49(36-14-7-3-8-15-36)29-42(35-12-5-2-6-13-35)30-50(55)37-16-9-4-10-17-37/h2-33H,1H3
InChIKeyKWEMPCGQWKFDPU-UHFFFAOYSA-N
MW986.93 g/mol
LogP17.28
Rot. Bonds7

About 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 134234394) has the molecular formula C60H35F9N2O2 and a molecular weight of 986.93 g/mol. Its IUPAC name is 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID134234394
Molecular FormulaC60H35F9N2O2
Molecular Weight986.93 g/mol
Exact Mass986.26
IUPAC Name4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESCc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C60H35F9N2O2/c1-34-24-40(26-43(25-34)58(61,62)63)38-20-22-46-47-23-21-39(41-27-44(59(64,65)66)33-45(28-41)60(67,68)69)32-53(47)70(52(46)31-38)51-19-11-18-48-54(51)57(73)71(56(48)72)55-49(36-14-7-3-8-15-36)29-42(35-12-5-2-6-13-35)30-50(55)37-16-9-4-10-17-37/h2-33H,1H3
InChIKeyKWEMPCGQWKFDPU-UHFFFAOYSA-N
XLogP17.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.93
LogP ≤ 517.28
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-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 134234394) is 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is KWEMPCGQWKFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35F9N2O2/c1-34-24-40(26-43(25-34)58(61,62)63)38-20-22-46-47-23-21-39(41-27-44(59(64,65)66)33-45(28-41)60(67,68)69)32-53(47)70(52(46)31-38)51-19-11-18-48-54(51)57(73)71(56(48)72)55-49(36-14-7-3-8-15-36)29-42(35-12-5-2-6-13-35)30-50(55)37-16-9-4-10-17-37/h2-33H,1H3.
What are the key properties of 4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 986.93 g/mol, XLogP of 17.28, 7 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]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).