2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene

C128H150F3N5 — CID 159849904

IUPAC2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2=Nc3cc4c(cc3C2)CC(c2ccccc2)=N4)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/2C22H16N2.C16H15F3.C16H18.C14H11N.3C7H8.C3H8.7C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;3*1-7-5-3-2-4-6-7;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;4-9H,1-3H3;5-10H,1-4H3;1-9H,10H2;3*2-6H,1H3;3H2,1-2H3;7*1-2H3
InChIKeyNPUJASOGOPBSHU-UHFFFAOYSA-N
MW1815.64 g/mol
LogP37.91
Rot. Bonds7

About 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene (PubChem CID 159849904) has the molecular formula C128H150F3N5 and a molecular weight of 1815.64 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene
PubChem CID159849904
Molecular FormulaC128H150F3N5
Molecular Weight1815.64 g/mol
Exact Mass1814.18
IUPAC Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2=Nc3cc4c(cc3C2)CC(c2ccccc2)=N4)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/2C22H16N2.C16H15F3.C16H18.C14H11N.3C7H8.C3H8.7C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;3*1-7-5-3-2-4-6-7;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;4-9H,1-3H3;5-10H,1-4H3;1-9H,10H2;3*2-6H,1H3;3H2,1-2H3;7*1-2H3
InChIKeyNPUJASOGOPBSHU-UHFFFAOYSA-N
XLogP37.91
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001815.64
LogP ≤ 537.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene?
The IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene (CID 159849904) is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene.
What is the SMILES notation for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene?
The canonical SMILES for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene is CC.CC.CC.CC.CC.CC.CC.CCC.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(C2=Nc3cc4c(cc3C2)CC(c2ccccc2)=N4)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2.
What is the InChIKey of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene?
The InChIKey is NPUJASOGOPBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2.C16H15F3.C16H18.C14H11N.3C7H8.C3H8.7C2H6/c1-3-7-19-17(5-1)13-21(23-19)15-9-11-16(12-10-15)22-14-18-6-2-4-8-20(18)24-22;1-3-7-15(8-4-1)19-12-17-11-18-13-20(16-9-5-2-6-10-16)24-22(18)14-21(17)23-19;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;3*1-7-5-3-2-4-6-7;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;4-9H,1-3H3;5-10H,1-4H3;1-9H,10H2;3*2-6H,1H3;3H2,1-2H3;7*1-2H3.
What are the key properties of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene?
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene has a molecular weight of 1815.64 g/mol, XLogP of 37.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;2-phenyl-3H-indole;propane;toluene is sourced from PubChem (CID 159849904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).