N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole

C34H33ClN4 — CID 144941007

IUPACN-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole
SMILESCC.Clc1ccc(Nc2c[nH]c3ccccc23)cc1.Cn1cc(-c2cc3ccccc3n2C)c2ccccc21
InChIInChI=1S/C18H16N2.C14H11ClN2.C2H6/c1-19-12-15(14-8-4-6-10-17(14)19)18-11-13-7-3-5-9-16(13)20(18)2;15-10-5-7-11(8-6-10)17-14-9-16-13-4-2-1-3-12(13)14;1-2/h3-12H,1-2H3;1-9,16-17H;1-2H3
InChIKeyNENRFRSBBOZKEJ-UHFFFAOYSA-N
MW533.12 g/mol
LogP9.93
Rot. Bonds3

About N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole

N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole (PubChem CID 144941007) has the molecular formula C34H33ClN4 and a molecular weight of 533.12 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole
PubChem CID144941007
Molecular FormulaC34H33ClN4
Molecular Weight533.12 g/mol
Exact Mass532.24
IUPAC NameN-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole
SMILESCC.Clc1ccc(Nc2c[nH]c3ccccc23)cc1.Cn1cc(-c2cc3ccccc3n2C)c2ccccc21
InChIInChI=1S/C18H16N2.C14H11ClN2.C2H6/c1-19-12-15(14-8-4-6-10-17(14)19)18-11-13-7-3-5-9-16(13)20(18)2;15-10-5-7-11(8-6-10)17-14-9-16-13-4-2-1-3-12(13)14;1-2/h3-12H,1-2H3;1-9,16-17H;1-2H3
InChIKeyNENRFRSBBOZKEJ-UHFFFAOYSA-N
XLogP9.93
TPSA37.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.12
LogP ≤ 59.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nostocarboline
CID 5326150
Nostocarboline hydroiodide
CID 11515734
N-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
CID 23646974
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
8-[4-[4-(5-chloro-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962581
12-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene
CID 364148
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
CID 511482
3-[[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
CID 9885485
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
3-[cis-4-[4-(1H-Indol-4-yl)-1-piperazinyl]-cyclohexyl]-2-methyl-1H-indole
CID 10273133

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole?
The IUPAC name of N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole (CID 144941007) is N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole.
What is the SMILES notation for N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole?
The canonical SMILES for N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole is CC.Clc1ccc(Nc2c[nH]c3ccccc23)cc1.Cn1cc(-c2cc3ccccc3n2C)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole?
The InChIKey is NENRFRSBBOZKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.C14H11ClN2.C2H6/c1-19-12-15(14-8-4-6-10-17(14)19)18-11-13-7-3-5-9-16(13)20(18)2;15-10-5-7-11(8-6-10)17-14-9-16-13-4-2-1-3-12(13)14;1-2/h3-12H,1-2H3;1-9,16-17H;1-2H3.
What are the key properties of N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole?
N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole has a molecular weight of 533.12 g/mol, XLogP of 9.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1H-indol-3-amine;ethane;1-methyl-2-(1-methylindol-3-yl)indole is sourced from PubChem (CID 144941007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).