1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole

C95H81F12N5O2 — CID 159199934

IUPAC1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole
SMILESCC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(c1c(C)cccc1C(F)(F)F)c1c[nH]c2ccccc12.Cc1cccc(C(F)(F)F)c1Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C26H22F3NO.C25H20F3NO.C19H18F3N.C17H14F3N.C8H7N/c1-3-25(31)18-11-13-20(14-12-18)30-16-19(21-8-4-5-10-24(21)30)15-22-17(2)7-6-9-23(22)26(27,28)29;1-16-6-5-8-23(25(26,27)28)22(16)14-19-15-29(24-9-4-3-7-21(19)24)20-12-10-18(11-13-20)17(2)30;1-3-13(15-11-23-17-10-5-4-8-14(15)17)18-12(2)7-6-9-16(18)19(20,21)22;1-11-5-4-7-15(17(18,19)20)14(11)9-12-10-21-16-8-3-2-6-13(12)16;1-2-4-8-7(3-1)5-6-9-8/h4-14,16H,3,15H2,1-2H3;3-13,15H,14H2,1-2H3;4-11,13,23H,3H2,1-2H3;2-8,10,21H,9H2,1H3;1-6,9H
InChIKeyKPDSQPRCGPGFGA-UHFFFAOYSA-N
MW1552.70 g/mol
LogP27.18
Rot. Bonds14

About 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole

1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole (PubChem CID 159199934) has the molecular formula C95H81F12N5O2 and a molecular weight of 1552.70 g/mol. Its IUPAC name is 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole.

Molecular Properties

Compound Name1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole
PubChem CID159199934
Molecular FormulaC95H81F12N5O2
Molecular Weight1552.70 g/mol
Exact Mass1551.62
IUPAC Name1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole
SMILESCC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(c1c(C)cccc1C(F)(F)F)c1c[nH]c2ccccc12.Cc1cccc(C(F)(F)F)c1Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1
InChIInChI=1S/C26H22F3NO.C25H20F3NO.C19H18F3N.C17H14F3N.C8H7N/c1-3-25(31)18-11-13-20(14-12-18)30-16-19(21-8-4-5-10-24(21)30)15-22-17(2)7-6-9-23(22)26(27,28)29;1-16-6-5-8-23(25(26,27)28)22(16)14-19-15-29(24-9-4-3-7-21(19)24)20-12-10-18(11-13-20)17(2)30;1-3-13(15-11-23-17-10-5-4-8-14(15)17)18-12(2)7-6-9-16(18)19(20,21)22;1-11-5-4-7-15(17(18,19)20)14(11)9-12-10-21-16-8-3-2-6-13(12)16;1-2-4-8-7(3-1)5-6-9-8/h4-14,16H,3,15H2,1-2H3;3-13,15H,14H2,1-2H3;4-11,13,23H,3H2,1-2H3;2-8,10,21H,9H2,1H3;1-6,9H
InChIKeyKPDSQPRCGPGFGA-UHFFFAOYSA-N
XLogP27.18
TPSA91.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001552.70
LogP ≤ 527.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole with MolForge

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Related Compounds

3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 9851789
(7-Aza-bicyclo[2.2.1]hept-7-yl)-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-methanone
CID 44293131
3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]octylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 10009042
3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]hexylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 44458044
3-(4-{10-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]decylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 44458229
3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]dodecylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 44458239
3-[(4-methylphenyl)-[5-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]-1H-indol-3-yl]methyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-5-carboxamide
CID 145950743
N-[(E)-(3-fluorophenyl)methylideneamino]-3-[[5-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145952382
N-[(E)-(2-fluorophenyl)methylideneamino]-3-[[5-[[(E)-(2-fluorophenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145954569
N-[(E)-(4-fluorophenyl)methylideneamino]-3-[[5-[[(E)-(4-fluorophenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145972650
3-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one
CID 44374091
3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]pentylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 44457909

Frequently Asked Questions

What is the IUPAC name of 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole?
The IUPAC name of 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole (CID 159199934) is 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole.
What is the SMILES notation for 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole?
The canonical SMILES for 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole is CC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(=O)c1ccc(-n2cc(Cc3c(C)cccc3C(F)(F)F)c3ccccc32)cc1.CCC(c1c(C)cccc1C(F)(F)F)c1c[nH]c2ccccc12.Cc1cccc(C(F)(F)F)c1Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole?
The InChIKey is KPDSQPRCGPGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NO.C25H20F3NO.C19H18F3N.C17H14F3N.C8H7N/c1-3-25(31)18-11-13-20(14-12-18)30-16-19(21-8-4-5-10-24(21)30)15-22-17(2)7-6-9-23(22)26(27,28)29;1-16-6-5-8-23(25(26,27)28)22(16)14-19-15-29(24-9-4-3-7-21(19)24)20-12-10-18(11-13-20)17(2)30;1-3-13(15-11-23-17-10-5-4-8-14(15)17)18-12(2)7-6-9-16(18)19(20,21)22;1-11-5-4-7-15(17(18,19)20)14(11)9-12-10-21-16-8-3-2-6-13(12)16;1-2-4-8-7(3-1)5-6-9-8/h4-14,16H,3,15H2,1-2H3;3-13,15H,14H2,1-2H3;4-11,13,23H,3H2,1-2H3;2-8,10,21H,9H2,1H3;1-6,9H.
What are the key properties of 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole?
1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole has a molecular weight of 1552.70 g/mol, XLogP of 27.18, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]-1H-indole;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]ethanone;1-[4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]indol-1-yl]phenyl]propan-1-one;3-[1-[2-methyl-6-(trifluoromethyl)phenyl]propyl]-1H-indole is sourced from PubChem (CID 159199934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).