6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole

C119H151N11 — CID 157155958

IUPAC6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(C3CCCC3)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H18N2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-17(2,3)13-8-9-14-15(11-18-16(14)10-13)12-6-4-5-7-12;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-10(2)13-9-16-14-8-11(15(3,4)5)6-7-12(13)14;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-11,19H,1-3H3;8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3
InChIKeyALUQCRNTGVSNBG-UHFFFAOYSA-N
MW1735.59 g/mol
LogP33.67
Rot. Bonds5

About 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole

6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole (PubChem CID 157155958) has the molecular formula C119H151N11 and a molecular weight of 1735.59 g/mol. Its IUPAC name is 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
PubChem CID157155958
Molecular FormulaC119H151N11
Molecular Weight1735.59 g/mol
Exact Mass1734.22
IUPAC Name6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(C3CCCC3)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H18N2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-17(2,3)13-8-9-14-15(11-18-16(14)10-13)12-6-4-5-7-12;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-10(2)13-9-16-14-8-11(15(3,4)5)6-7-12(13)14;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-11,19H,1-3H3;8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3
InChIKeyALUQCRNTGVSNBG-UHFFFAOYSA-N
XLogP33.67
TPSA186.79 Ų
H-Bond Donors8
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.59
LogP ≤ 533.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole with MolForge

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Related Compounds

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
3-[[5-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035572
3-[1H-indol-3-yl-[1-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-1H-indole-5-carbonitrile
CID 145951068
3-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]-(1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 145952071
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
(Z)-3-isoquinolin-5-yl-2-[6-(pyrrolidin-1-ylmethyl)-1H-indol-3-yl]prop-2-enenitrile
CID 124124845
(5R,7R)-7-[(E)-2-(1H-indol-5-yl)ethenyl]-7-methyl-5-(2-methylprop-1-enyl)-5,6-dihydro-1H-cyclopenta[f]indole
CID 163186349
3-[(5-amino-1H-indol-3-yl)-[4-[bis(5-amino-1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-amine
CID 57326885
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127034771
3-[[6-[bis(1H-indol-3-yl)methyl]-2-pyridinyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 127035737
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127035944

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The IUPAC name of 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole (CID 157155958) is 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole.
What is the SMILES notation for 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The canonical SMILES for 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1-c1cccnc1.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(C3CCCC3)c[nH]c2c1.CC(C)(C)c1ccc2c(CC#N)c[nH]c2c1.CC(C)c1c[nH]c2cc(C(C)(C)C)ccc12.CCc1c[nH]c2cc(C(C)(C)C)ccc12.Cc1c[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The InChIKey is ALUQCRNTGVSNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C17H23N.C16H23N.C15H21N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-17(2,3)13-8-9-14-15(11-18-16(14)10-13)12-6-4-5-7-12;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-10(2)13-9-16-14-8-11(15(3,4)5)6-7-12(13)14;1-14(2,3)11-4-5-12-10(6-7-15)9-16-13(12)8-11;1-5-10-9-15-13-8-11(14(2,3)4)6-7-12(10)13;1-13(2,3)10-4-5-11-9(7-14)8-15-12(11)6-10;1-9-8-14-12-7-10(13(2,3)4)5-6-11(9)12/h4-11,19H,1-3H3;8-12,18H,4-7H2,1-3H3;7-10,17H,1-6H3;6-10,16H,1-5H3;4-5,8-9,16H,6H2,1-3H3;6-9,15H,5H2,1-4H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3.
What are the key properties of 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole has a molecular weight of 1735.59 g/mol, XLogP of 33.67, 5 rotatable bonds, 8 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-cyclopentyl-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-3-propan-2-yl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole is sourced from PubChem (CID 157155958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).