6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole

C125H149N11O2 — CID 161174042

IUPAC6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.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(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.COc1cccc(OC)c1-c1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C20H23NO2.C18H19N.C17H18N2.C16H23N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-20(2,3)15-12-16-13(9-10-21-16)11-14(15)19-17(22-4)7-6-8-18(19)23-5;1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;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/h6-12,21H,1-5H3;4-12,19H,1-3H3;4-11,19H,1-3H3;7-10,17H,1-6H3;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
InChIKeyUROGXMSICBCEGO-UHFFFAOYSA-N
MW1837.64 g/mol
LogP34.24
Rot. Bonds7

About 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole

6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole (PubChem CID 161174042) has the molecular formula C125H149N11O2 and a molecular weight of 1837.64 g/mol. Its IUPAC name is 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
PubChem CID161174042
Molecular FormulaC125H149N11O2
Molecular Weight1837.64 g/mol
Exact Mass1836.19
IUPAC Name6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.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(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.COc1cccc(OC)c1-c1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C20H23NO2.C18H19N.C17H18N2.C16H23N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-20(2,3)15-12-16-13(9-10-21-16)11-14(15)19-17(22-4)7-6-8-18(19)23-5;1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;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/h6-12,21H,1-5H3;4-12,19H,1-3H3;4-11,19H,1-3H3;7-10,17H,1-6H3;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
InChIKeyUROGXMSICBCEGO-UHFFFAOYSA-N
XLogP34.24
TPSA205.25 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.64
LogP ≤ 534.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-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

2-(3,5-dimethoxyphenyl)-5-(1H-indol-4-yl)-3-(4-methoxyphenyl)-1-methylindole
CID 44142449
2-(3,5-dimethoxyphenyl)-5-(1H-indol-6-yl)-3-(4-methoxyphenyl)-1-methylindole
CID 44142447
(4-tert-butyl-2-phenylcyclopentyl)benzene;1,3-dimethoxy-5-(2,3,4,5-tetramethylcyclopentyl)benzene;iron;1-methoxy-4-[2,3,4,5-tetrakis(4-methoxyphenyl)cyclopentyl]benzene;9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;3-methyl-1H-indole;2-[2-methyl-2-(2,3,4-trimethyl-5-phenylcyclopentyl)propyl]-1H-pyrrole;9-phenyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;heptakis(1H-pyrrole);4,5,6,7-tetrahydro-1H-indole;1-(2,3,4,5-tetramethylcyclopentyl)-3,5-bis(trifluoromethyl)benzene;bis((2,3,4,5-tetraphenylcyclopentyl)benzene);1,2,3-trimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162274720
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-methoxyphenyl]methyl]-2-methoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225218
4-(3,5-dimethoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
CID 171396080
6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole
CID 57567273
5-[4-(2,6-dimethoxyphenyl)phenyl]-1H-indole-3-carbonitrile
CID 59145378
1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
CID 87485036
2-[bis(1H-indol-3-yl)methyl]-4-[[3-[(2-hydroxy-4-methoxyphenyl)-(1H-indol-3-yl)methyl]indol-1-yl]methyl]phenol
CID 137496005
5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
CID 143864165
5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
CID 143864208
5-[3-benzyl-1-[[3-[[3-(1H-indol-5-yl)pyrrolidin-3-yl]methyl]phenoxy]methyl]pyrrolidin-3-yl]-1H-indole-2-carbonitrile
CID 143864209

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The IUPAC name of 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole (CID 161174042) is 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-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-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The canonical SMILES for 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1-c1ccccc1.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(CC#N)c[nH]c2c1.CCc1c[nH]c2cc(C(C)(C)C)ccc12.COc1cccc(OC)c1-c1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
The InChIKey is UROGXMSICBCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C18H19N.C17H18N2.C16H23N.C14H16N2.C14H19N.C13H14N2.C13H17N/c1-20(2,3)15-12-16-13(9-10-21-16)11-14(15)19-17(22-4)7-6-8-18(19)23-5;1-18(2,3)16-12-17-14(9-10-19-17)11-15(16)13-7-5-4-6-8-13;1-17(2,3)15-10-16-12(6-8-19-16)9-14(15)13-5-4-7-18-11-13;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;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/h6-12,21H,1-5H3;4-12,19H,1-3H3;4-11,19H,1-3H3;7-10,17H,1-6H3;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-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole?
6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole has a molecular weight of 1837.64 g/mol, XLogP of 34.24, 7 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(2,6-dimethoxyphenyl)-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-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole;3,6-ditert-butyl-1H-indole is sourced from PubChem (CID 161174042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).