4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane

C68H37F21N4O4 — CID 142280482

IUPAC4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O
InChIInChI=1S/C37H18F12N2O2.C29H16F6N2O2.C2H3F3/c1-50-32(52)23-3-2-4-30(31(23)33(50)53)51-28-11-5-17(21-9-7-19(34(38,39)40)15-26(21)36(44,45)46)13-24(28)25-14-18(6-12-29(25)51)22-10-8-20(35(41,42)43)16-27(22)37(47,48)49;1-36-26(38)19-6-4-8-24(25(19)27(36)39)37-22-7-3-2-5-18(22)20-13-15(9-12-23(20)37)17-11-10-16(28(30,31)32)14-21(17)29(33,34)35;1-2(3,4)5/h2-16H,1H3;2-14H,1H3;1H3
InChIKeyRBKXLSONCNBAFX-UHFFFAOYSA-N
MW1373.03 g/mol
LogP20.70
Rot. Bonds5

About 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane

4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane (PubChem CID 142280482) has the molecular formula C68H37F21N4O4 and a molecular weight of 1373.03 g/mol. Its IUPAC name is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane
PubChem CID142280482
Molecular FormulaC68H37F21N4O4
Molecular Weight1373.03 g/mol
Exact Mass1372.25
IUPAC Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O
InChIInChI=1S/C37H18F12N2O2.C29H16F6N2O2.C2H3F3/c1-50-32(52)23-3-2-4-30(31(23)33(50)53)51-28-11-5-17(21-9-7-19(34(38,39)40)15-26(21)36(44,45)46)13-24(28)25-14-18(6-12-29(25)51)22-10-8-20(35(41,42)43)16-27(22)37(47,48)49;1-36-26(38)19-6-4-8-24(25(19)27(36)39)37-22-7-3-2-5-18(22)20-13-15(9-12-23(20)37)17-11-10-16(28(30,31)32)14-21(17)29(33,34)35;1-2(3,4)5/h2-16H,1H3;2-14H,1H3;1H3
InChIKeyRBKXLSONCNBAFX-UHFFFAOYSA-N
XLogP20.70
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.03
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane with MolForge

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Related Compounds

10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione
CID 371270
13-Methyl-3-prop-2-enyl-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4,6,8,11(15),16,18,20,22-decaene-12,14-dione
CID 11395174
10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione
CID 373648
5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione
CID 376315
11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione
CID 379251
10-Methyl-2-phenyl-4-(1-pyrrolidinyl)pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione
CID 380390
11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione
CID 381745
11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione
CID 381746
13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 392068
9-Benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 399652
1,10,19,28-Tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-3(40),4,6,8,12(39),13,15,17,21(38),22,24,26,30(37),31,33,35-hexadecaene-2,11,20,29-tetrone
CID 15229602
4-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione;(12R)-4-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
CID 362443

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane?
The IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane (CID 142280482) is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane.
What is the SMILES notation for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane?
The canonical SMILES for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane is CC(F)(F)F.CN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)c2C1=O.
What is the InChIKey of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane?
The InChIKey is RBKXLSONCNBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H18F12N2O2.C29H16F6N2O2.C2H3F3/c1-50-32(52)23-3-2-4-30(31(23)33(50)53)51-28-11-5-17(21-9-7-19(34(38,39)40)15-26(21)36(44,45)46)13-24(28)25-14-18(6-12-29(25)51)22-10-8-20(35(41,42)43)16-27(22)37(47,48)49;1-36-26(38)19-6-4-8-24(25(19)27(36)39)37-22-7-3-2-5-18(22)20-13-15(9-12-23(20)37)17-11-10-16(28(30,31)32)14-21(17)29(33,34)35;1-2(3,4)5/h2-16H,1H3;2-14H,1H3;1H3.
What are the key properties of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane?
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane has a molecular weight of 1373.03 g/mol, XLogP of 20.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;4-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione;1,1,1-trifluoroethane is sourced from PubChem (CID 142280482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).