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

C206H133F15N8O8 — CID 159475320

IUPAC4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c2c2c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c(C)c1
InChIInChI=1S/2C54H34F6N2O2.C52H36N2O2.C46H29F3N2O2/c1-31-22-25-37(32(2)28-31)39-16-9-19-45-48(39)49-40(38-26-24-36(53(55,56)57)30-43(38)54(58,59)60)17-10-20-46(49)61(45)47-21-11-18-41-50(47)52(64)62(51(41)63)44-27-23-35(33-12-5-3-6-13-33)29-42(44)34-14-7-4-8-15-34;1-31-16-21-40(45(26-31)54(58,59)60)37-19-25-48-44(30-37)43-29-36(39-22-20-38(27-32(39)2)53(55,56)57)18-24-47(43)61(48)49-15-9-14-41-50(49)52(64)62(51(41)63)46-23-17-35(33-10-5-3-6-11-33)28-42(46)34-12-7-4-8-13-34;1-33-28-29-39(34(2)30-33)41-23-14-24-42-40-22-12-13-26-46(40)53(49(41)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37;1-28-26-32(46(47,48)49)23-24-33(28)34-17-10-20-40-42(34)35-16-8-9-19-38(35)50(40)41-21-11-18-36-43(41)45(53)51(44(36)52)39-25-22-31(29-12-4-2-5-13-29)27-37(39)30-14-6-3-7-15-30/h2*3-30H,1-2H3;3-32H,1-2H3;2-27H,1H3
InChIKeyLWHOVUWILXTVIT-UHFFFAOYSA-N
MW3133.35 g/mol
LogP54.60
Rot. Bonds23

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

4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione (PubChem CID 159475320) has the molecular formula C206H133F15N8O8 and a molecular weight of 3133.35 g/mol. Its IUPAC name is 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
PubChem CID159475320
Molecular FormulaC206H133F15N8O8
Molecular Weight3133.35 g/mol
Exact Mass3131.00
IUPAC Name4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c2c2c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c(C)c1
InChIInChI=1S/2C54H34F6N2O2.C52H36N2O2.C46H29F3N2O2/c1-31-22-25-37(32(2)28-31)39-16-9-19-45-48(39)49-40(38-26-24-36(53(55,56)57)30-43(38)54(58,59)60)17-10-20-46(49)61(45)47-21-11-18-41-50(47)52(64)62(51(41)63)44-27-23-35(33-12-5-3-6-13-33)29-42(44)34-14-7-4-8-15-34;1-31-16-21-40(45(26-31)54(58,59)60)37-19-25-48-44(30-37)43-29-36(39-22-20-38(27-32(39)2)53(55,56)57)18-24-47(43)61(48)49-15-9-14-41-50(49)52(64)62(51(41)63)46-23-17-35(33-10-5-3-6-11-33)28-42(46)34-12-7-4-8-13-34;1-33-28-29-39(34(2)30-33)41-23-14-24-42-40-22-12-13-26-46(40)53(49(41)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37;1-28-26-32(46(47,48)49)23-24-33(28)34-17-10-20-40-42(34)35-16-8-9-19-38(35)50(40)41-21-11-18-36-43(41)45(53)51(44(36)52)39-25-22-31(29-12-4-2-5-13-29)27-37(39)30-14-6-3-7-15-30/h2*3-30H,1-2H3;3-32H,1-2H3;2-27H,1H3
InChIKeyLWHOVUWILXTVIT-UHFFFAOYSA-N
XLogP54.60
TPSA169.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003133.35
LogP ≤ 554.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione with MolForge

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Related Compounds

4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione
CID 159475322
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234813
4-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234839
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
4-[1,8-bis[4-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134241727

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione (CID 159475320) is 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione is Cc1cc(C(F)(F)F)ccc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c2c2c(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c(C)c1.
What is the InChIKey of 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is LWHOVUWILXTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34F6N2O2.C52H36N2O2.C46H29F3N2O2/c1-31-22-25-37(32(2)28-31)39-16-9-19-45-48(39)49-40(38-26-24-36(53(55,56)57)30-43(38)54(58,59)60)17-10-20-46(49)61(45)47-21-11-18-41-50(47)52(64)62(51(41)63)44-27-23-35(33-12-5-3-6-13-33)29-42(44)34-14-7-4-8-15-34;1-31-16-21-40(45(26-31)54(58,59)60)37-19-25-48-44(30-37)43-29-36(39-22-20-38(27-32(39)2)53(55,56)57)18-24-47(43)61(48)49-15-9-14-41-50(49)52(64)62(51(41)63)46-23-17-35(33-10-5-3-6-11-33)28-42(46)34-12-7-4-8-13-34;1-33-28-29-39(34(2)30-33)41-23-14-24-42-40-22-12-13-26-46(40)53(49(41)42)47-27-15-25-43-48(47)52(56)54(51(43)55)50-44(36-18-8-4-9-19-36)31-38(35-16-6-3-7-17-35)32-45(50)37-20-10-5-11-21-37;1-28-26-32(46(47,48)49)23-24-33(28)34-17-10-20-40-42(34)35-16-8-9-19-38(35)50(40)41-21-11-18-36-43(41)45(53)51(44(36)52)39-25-22-31(29-12-4-2-5-13-29)27-37(39)30-14-6-3-7-15-30/h2*3-30H,1-2H3;3-32H,1-2H3;2-27H,1H3.
What are the key properties of 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione?
4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 3133.35 g/mol, XLogP of 54.60, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[4-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione;2-(2,4-diphenylphenyl)-4-[3-[2-methyl-4-(trifluoromethyl)phenyl]-6-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 159475320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).