aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene

C121H143F3N12 — CID 161385578

IUPACaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene
SMILESCC.CC.CC.CC.CCC.CN.CN.CN.Cc1ccc(-c2ccc(N)c(C)c2)cc1C.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Nc1ccccc1.Nc1ccccc1.c1ccc(C2=Nc3cc4c(cc3C2)CC(c2ccccc2)=N4)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/2C22H16N2.C15H14F3N.C15H17N.C14H11N.C7H8.2C6H7N.C3H8.4C2H6.3CH5N/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;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-5-13(8-11(10)2)14-6-7-15(16)12(3)9-14;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-7-5-3-2-4-6-7;2*7-6-4-2-1-3-5-6;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;3-8H,19H2,1-2H3;4-9H,16H2,1-3H3;1-9H,10H2;2-6H,1H3;2*1-5H,7H2;3H2,1-2H3;4*1-2H3;3*2H2,1H3
InChIKeyVSHJIOHVJUHMDH-UHFFFAOYSA-N
MW1822.55 g/mol
LogP30.66
Rot. Bonds7

About aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene

aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene (PubChem CID 161385578) has the molecular formula C121H143F3N12 and a molecular weight of 1822.55 g/mol. Its IUPAC name is aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene.

Molecular Properties

Compound Nameaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene
PubChem CID161385578
Molecular FormulaC121H143F3N12
Molecular Weight1822.55 g/mol
Exact Mass1821.15
IUPAC Nameaniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene
SMILESCC.CC.CC.CC.CCC.CN.CN.CN.Cc1ccc(-c2ccc(N)c(C)c2)cc1C.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Nc1ccccc1.Nc1ccccc1.c1ccc(C2=Nc3cc4c(cc3C2)CC(c2ccccc2)=N4)cc1.c1ccc(C2=Nc3ccccc3C2)cc1.c1ccc2c(c1)CC(c1ccc(C3=Nc4ccccc4C3)cc1)=N2
InChIInChI=1S/2C22H16N2.C15H14F3N.C15H17N.C14H11N.C7H8.2C6H7N.C3H8.4C2H6.3CH5N/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;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-5-13(8-11(10)2)14-6-7-15(16)12(3)9-14;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-7-5-3-2-4-6-7;2*7-6-4-2-1-3-5-6;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;3-8H,19H2,1-2H3;4-9H,16H2,1-3H3;1-9H,10H2;2-6H,1H3;2*1-5H,7H2;3H2,1-2H3;4*1-2H3;3*2H2,1H3
InChIKeyVSHJIOHVJUHMDH-UHFFFAOYSA-N
XLogP30.66
TPSA243.94 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.55
LogP ≤ 530.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene?
The IUPAC name of aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene (CID 161385578) is aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene.
What is the SMILES notation for aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene?
The canonical SMILES for aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene is CC.CC.CC.CC.CCC.CN.CN.CN.Cc1ccc(-c2ccc(N)c(C)c2)cc1C.Cc1ccc(-c2ccc(N)cc2C(F)(F)F)c(C)c1.Cc1ccccc1.Nc1ccccc1.Nc1ccccc1.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 aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene?
The InChIKey is VSHJIOHVJUHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2.C15H14F3N.C15H17N.C14H11N.C7H8.2C6H7N.C3H8.4C2H6.3CH5N/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;1-9-3-5-12(10(2)7-9)13-6-4-11(19)8-14(13)15(16,17)18;1-10-4-5-13(8-11(10)2)14-6-7-15(16)12(3)9-14;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-7-5-3-2-4-6-7;2*7-6-4-2-1-3-5-6;1-3-2;7*1-2/h1-12H,13-14H2;1-11,14H,12-13H2;3-8H,19H2,1-2H3;4-9H,16H2,1-3H3;1-9H,10H2;2-6H,1H3;2*1-5H,7H2;3H2,1-2H3;4*1-2H3;3*2H2,1H3.
What are the key properties of aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene?
aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene has a molecular weight of 1822.55 g/mol, XLogP of 30.66, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-(3,4-dimethylphenyl)-2-methylaniline;4-(2,4-dimethylphenyl)-3-(trifluoromethyl)aniline;2,6-diphenyl-3,5-dihydropyrrolo[3,2-f]indole;ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole;methanamine;2-phenyl-3H-indole;propane;toluene is sourced from PubChem (CID 161385578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).