4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

C90H106N6O2 — CID 157100858

IUPAC4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2cc[nH]c12.CC(C)c1coc2ccccc12
InChIInChI=1S/2C12H15N.4C11H13N.2C11H12O/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*4-8,13H,1-3H3;4*3-8,12H,1-2H3;2*3-8H,1-2H3
InChIKeyAFTAGGRAGUUOPP-UHFFFAOYSA-N
MW1303.88 g/mol
LogP27.21
Rot. Bonds6

About 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole

4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (PubChem CID 157100858) has the molecular formula C90H106N6O2 and a molecular weight of 1303.88 g/mol. Its IUPAC name is 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.

Molecular Properties

Compound Name4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
PubChem CID157100858
Molecular FormulaC90H106N6O2
Molecular Weight1303.88 g/mol
Exact Mass1302.84
IUPAC Name4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole
SMILESCC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2cc[nH]c12.CC(C)c1coc2ccccc12
InChIInChI=1S/2C12H15N.4C11H13N.2C11H12O/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*4-8,13H,1-3H3;4*3-8,12H,1-2H3;2*3-8H,1-2H3
InChIKeyAFTAGGRAGUUOPP-UHFFFAOYSA-N
XLogP27.21
TPSA121.02 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.88
LogP ≤ 527.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

[5-[bis(1H-indol-3-yl)methyl]-7-propan-2-yl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707402
[5-[bis(1H-indol-3-yl)methyl]-7-methyl-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 72707522
[5-[bis(1H-indol-3-yl)methyl]-7-ethyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707587
[5-[bis(1H-indol-3-yl)methyl]-7-tert-butyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707653
[5-[bis(1H-indol-3-yl)methyl]-7-methyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707654
4-[bis[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]benzaldehyde
CID 172442035
4-[bis[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]methyl]benzaldehyde
CID 172449163
4-[3,4-bis[4-(5-fluoro-1-benzofuran-3-yl)butyl]-1-(1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole
CID 54268693
1-[4-(furan-2-yl)phenyl]-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]ethanimine
CID 123564490
5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
CID 141147368
2-(1-benzofuran-3-yl)ethanamine;bis(2-ethyl-1-methyl-4-[(Z)-prop-1-enyl]cyclohexane);2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 144539679
2-(6-fluoro-1H-indol-3-yl)ethanamine;N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-1-[3-(2,2,3-trifluorobutoxy)phenyl]methanimine;2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;3-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 157314846

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The IUPAC name of 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole (CID 157100858) is 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole.
What is the SMILES notation for 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The canonical SMILES for 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc2cc[nH]c12.CC(C)c1coc2ccccc12.
What is the InChIKey of 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
The InChIKey is AFTAGGRAGUUOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.4C11H13N.2C11H12O/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h2*4-8,13H,1-3H3;4*3-8,12H,1-2H3;2*3-8H,1-2H3.
What are the key properties of 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole?
4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole has a molecular weight of 1303.88 g/mol, XLogP of 27.21, 6 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indole;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole is sourced from PubChem (CID 157100858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).