1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole

C36H30F6N4 — CID 25118613

IUPAC1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole
SMILESFC(F)(F)c1cccc(-n2cc(CN3CCN(Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c3ccccc32)c1
InChIInChI=1S/C36H30F6N4/c37-35(38,39)27-7-5-9-29(19-27)45-23-25(31-11-1-3-13-33(31)45)21-43-15-17-44(18-16-43)22-26-24-46(34-14-4-2-12-32(26)34)30-10-6-8-28(20-30)36(40,41)42/h1-14,19-20,23-24H,15-18,21-22H2
InChIKeyWTUIKLUGTMKSKB-UHFFFAOYSA-N
MW632.65 g/mol
LogP8.93
Rot. Bonds6

About 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole

1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole (PubChem CID 25118613) has the molecular formula C36H30F6N4 and a molecular weight of 632.65 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole
PubChem CID25118613
Molecular FormulaC36H30F6N4
Molecular Weight632.65 g/mol
Exact Mass632.24
IUPAC Name1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole
SMILESFC(F)(F)c1cccc(-n2cc(CN3CCN(Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c3ccccc32)c1
InChIInChI=1S/C36H30F6N4/c37-35(38,39)27-7-5-9-29(19-27)45-23-25(31-11-1-3-13-33(31)45)21-43-15-17-44(18-16-43)22-26-24-46(34-14-4-2-12-32(26)34)30-10-6-8-28(20-30)36(40,41)42/h1-14,19-20,23-24H,15-18,21-22H2
InChIKeyWTUIKLUGTMKSKB-UHFFFAOYSA-N
XLogP8.93
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole with MolForge

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Related Compounds

Decussine
CID 156336
[2-(3-Benzyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 20722800
1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
Benzindopyrine
CID 21770
3,3'-(piperazine-1,4-diyldimethanediyl)bis(1H-indole)
CID 412865
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
1-{[4-(substitutedphenyl/phenylethyl)piperazin1-yl]methyl}-3-methyl-1 H-indole, 3a
CID 56652456
1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1 H-indole, 4a
CID 56652458
1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1 H-indole, 4b
CID 56652775

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole (CID 25118613) is 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole is FC(F)(F)c1cccc(-n2cc(CN3CCN(Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c3ccccc32)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole?
The InChIKey is WTUIKLUGTMKSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F6N4/c37-35(38,39)27-7-5-9-29(19-27)45-23-25(31-11-1-3-13-33(31)45)21-43-15-17-44(18-16-43)22-26-24-46(34-14-4-2-12-32(26)34)30-10-6-8-28(20-30)36(40,41)42/h1-14,19-20,23-24H,15-18,21-22H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole?
1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole has a molecular weight of 632.65 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-3-[[4-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]piperazin-1-yl]methyl]indole is sourced from PubChem (CID 25118613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).