5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole

C73H104N6 — CID 160757236

IUPAC5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CCCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15N.2C11H13N.C10H11N.C9H9N.C8H7N.6C2H6/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-2-3-9-4-5-11-10(8-9)6-7-12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-8-7(3-1)5-6-9-8;6*1-2/h4-8,13H,1-3H3;3-8,12H,1-2H3;4-8,12H,2-3H2,1H3;3-7,11H,2H2,1H3;2-6,10H,1H3;1-6,9H;6*1-2H3
InChIKeyRXPBHPICILSQHB-UHFFFAOYSA-N
MW1065.68 g/mol
LogP23.41
Rot. Bonds4

About 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole

5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole (PubChem CID 160757236) has the molecular formula C73H104N6 and a molecular weight of 1065.68 g/mol. Its IUPAC name is 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole.

Molecular Properties

Compound Name5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole
PubChem CID160757236
Molecular FormulaC73H104N6
Molecular Weight1065.68 g/mol
Exact Mass1064.83
IUPAC Name5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CCCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H15N.2C11H13N.C10H11N.C9H9N.C8H7N.6C2H6/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-2-3-9-4-5-11-10(8-9)6-7-12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-8-7(3-1)5-6-9-8;6*1-2/h4-8,13H,1-3H3;3-8,12H,1-2H3;4-8,12H,2-3H2,1H3;3-7,11H,2H2,1H3;2-6,10H,1H3;1-6,9H;6*1-2H3
InChIKeyRXPBHPICILSQHB-UHFFFAOYSA-N
XLogP23.41
TPSA94.74 Ų
H-Bond Donors6
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.68
LogP ≤ 523.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 100

Analyze 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole with MolForge

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Related Compounds

5-butan-2-yl-1-methylindole;5-tert-butyl-1-methylindole;ethane;5-ethyl-1-methylindole;1-methyl-5-propan-2-ylindole;1-methyl-5-propylindole
CID 159968183
5-propan-2-yl-1H-indole
CID 10558918
1H-indole;2-methylnaphthalene
CID 20520049
3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
CID 158031871
2-methyl-7-propylnaphthalene
CID 59912073
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
ethane;1-ethyl-4-methylbenzene;1-ethyl-2-propylbenzene;methane;1-propan-2-yl-4-propylbenzene
CID 176686204
1-butan-2-yl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane;1-ethyl-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propylbenzene;1,4-xylene
CID 157322735
5-(4-methylpentyl)-1H-indole
CID 143660626
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
CID 178169617
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
heptane;1H-indole
CID 162212083

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole?
The IUPAC name of 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole (CID 160757236) is 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole.
What is the SMILES notation for 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole?
The canonical SMILES for 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole is CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CCCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole?
The InChIKey is RXPBHPICILSQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.2C11H13N.C10H11N.C9H9N.C8H7N.6C2H6/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-2-3-9-4-5-11-10(8-9)6-7-12-11;1-2-8-3-4-10-9(7-8)5-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-2-4-8-7(3-1)5-6-9-8;6*1-2/h4-8,13H,1-3H3;3-8,12H,1-2H3;4-8,12H,2-3H2,1H3;3-7,11H,2H2,1H3;2-6,10H,1H3;1-6,9H;6*1-2H3.
What are the key properties of 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole?
5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole has a molecular weight of 1065.68 g/mol, XLogP of 23.41, 4 rotatable bonds, 6 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-indole;ethane;5-ethyl-1H-indole;1H-indole;5-methyl-1H-indole;5-propan-2-yl-1H-indole;5-propyl-1H-indole is sourced from PubChem (CID 160757236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).