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

C128H83F9N6O6 — CID 157418591

IUPAC4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1
InChIInChI=1S/C48H30F6N2O2.C40H25F3N2O2.C40H28N2O2/c1-27-20-22-33(28(2)24-27)35-14-7-16-37-38-17-8-15-36(34-23-21-31(47(49,50)51)26-40(34)48(52,53)54)44(38)56(43(35)37)41-19-9-18-39-42(41)46(58)55(45(39)57)32-13-6-12-30(25-32)29-10-4-3-5-11-29;1-24-17-19-29(33(21-24)40(41,42)43)27-18-20-31-30-13-5-6-15-34(30)45(36(31)23-27)35-16-8-14-32-37(35)39(47)44(38(32)46)28-12-7-11-26(22-28)25-9-3-2-4-10-25;1-25-21-22-30(26(2)23-25)32-16-9-17-33-31-15-6-7-19-35(31)42(38(32)33)36-20-10-18-34-37(36)40(44)41(39(34)43)29-14-8-13-28(24-29)27-11-4-3-5-12-27/h3-26H,1-2H3;2-23H,1H3;3-24H,1-2H3
InChIKeyBPDHIUAEVRWPDC-UHFFFAOYSA-N
MW1972.09 g/mol
LogP33.02
Rot. Bonds13

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

4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 157418591) has the molecular formula C128H83F9N6O6 and a molecular weight of 1972.09 g/mol. Its IUPAC name is 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID157418591
Molecular FormulaC128H83F9N6O6
Molecular Weight1972.09 g/mol
Exact Mass1970.62
IUPAC Name4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1
InChIInChI=1S/C48H30F6N2O2.C40H25F3N2O2.C40H28N2O2/c1-27-20-22-33(28(2)24-27)35-14-7-16-37-38-17-8-15-36(34-23-21-31(47(49,50)51)26-40(34)48(52,53)54)44(38)56(43(35)37)41-19-9-18-39-42(41)46(58)55(45(39)57)32-13-6-12-30(25-32)29-10-4-3-5-11-29;1-24-17-19-29(33(21-24)40(41,42)43)27-18-20-31-30-13-5-6-15-34(30)45(36(31)23-27)35-16-8-14-32-37(35)39(47)44(38(32)46)28-12-7-11-26(22-28)25-9-3-2-4-10-25;1-25-21-22-30(26(2)23-25)32-16-9-17-33-31-15-6-7-19-35(31)42(38(32)33)36-20-10-18-34-37(36)40(44)41(39(34)43)29-14-8-13-28(24-29)27-11-4-3-5-12-27/h3-26H,1-2H3;2-23H,1H3;3-24H,1-2H3
InChIKeyBPDHIUAEVRWPDC-UHFFFAOYSA-N
XLogP33.02
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001972.09
LogP ≤ 533.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione with MolForge

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Related Compounds

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CID 118972487
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione (CID 157418591) is 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c3c2)c(C(F)(F)F)c1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)c4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cccc(-c6ccccc6)c4)C5=O)c23)c(C)c1.
What is the InChIKey of 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is BPDHIUAEVRWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F6N2O2.C40H25F3N2O2.C40H28N2O2/c1-27-20-22-33(28(2)24-27)35-14-7-16-37-38-17-8-15-36(34-23-21-31(47(49,50)51)26-40(34)48(52,53)54)44(38)56(43(35)37)41-19-9-18-39-42(41)46(58)55(45(39)57)32-13-6-12-30(25-32)29-10-4-3-5-11-29;1-24-17-19-29(33(21-24)40(41,42)43)27-18-20-31-30-13-5-6-15-34(30)45(36(31)23-27)35-16-8-14-32-37(35)39(47)44(38(32)46)28-12-7-11-26(22-28)25-9-3-2-4-10-25;1-25-21-22-30(26(2)23-25)32-16-9-17-33-31-15-6-7-19-35(31)42(38(32)33)36-20-10-18-34-37(36)40(44)41(39(34)43)29-14-8-13-28(24-29)27-11-4-3-5-12-27/h3-26H,1-2H3;2-23H,1H3;3-24H,1-2H3.
What are the key properties of 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione?
4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 1972.09 g/mol, XLogP of 33.02, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2,4-bis(trifluoromethyl)phenyl]-8-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 157418591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).