6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole

C179H224ClF4N11 — CID 159501951

IUPAC6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)C1=C(CCCC1)C2.CC(C)(C)c1ccc2c(c1)C=C(C#N)C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC1=CCc2cccc(C(C)(C)C)c21.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H22.2C16H23N.C14H15N.C14H19N.C14H18.C13H14F3N.C13H14N2.C13H17N.C13H16.C12H14ClN.C12H14FN.C12H15N/c1-17(2,3)14-9-8-13-10-12-6-4-5-7-15(12)16(13)11-14;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-14(2,3)13-5-4-11-6-10(9-15)7-12(11)8-13;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;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;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h8-9,11H,4-7,10H2,1-3H3;2*7-10,17H,1-6H3;4-5,7-8H,6H2,1-3H3;6-9,15H,5H2,1-4H3;5-8H,9H2,1-4H3;4-7,17H,1-3H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3;4-5,7-9H,6H2,1-3H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3
InChIKeyLZMQFMNSQHVXGA-UHFFFAOYSA-N
MW2641.28 g/mol
LogP52.15
Rot. Bonds1

About 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole

6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole (PubChem CID 159501951) has the molecular formula C179H224ClF4N11 and a molecular weight of 2641.28 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
PubChem CID159501951
Molecular FormulaC179H224ClF4N11
Molecular Weight2641.28 g/mol
Exact Mass2638.75
IUPAC Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)C1=C(CCCC1)C2.CC(C)(C)c1ccc2c(c1)C=C(C#N)C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC1=CCc2cccc(C(C)(C)C)c21.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12
InChIInChI=1S/C17H22.2C16H23N.C14H15N.C14H19N.C14H18.C13H14F3N.C13H14N2.C13H17N.C13H16.C12H14ClN.C12H14FN.C12H15N/c1-17(2,3)14-9-8-13-10-12-6-4-5-7-15(12)16(13)11-14;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-14(2,3)13-5-4-11-6-10(9-15)7-12(11)8-13;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;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;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h8-9,11H,4-7,10H2,1-3H3;2*7-10,17H,1-6H3;4-5,7-8H,6H2,1-3H3;6-9,15H,5H2,1-4H3;5-8H,9H2,1-4H3;4-7,17H,1-3H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3;4-5,7-9H,6H2,1-3H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3
InChIKeyLZMQFMNSQHVXGA-UHFFFAOYSA-N
XLogP52.15
TPSA189.69 Ų
H-Bond Donors9
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002641.28
LogP ≤ 552.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

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
CID 159481424
3-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;1-tert-butylindole;2-tert-butyl-1H-indole;7-tert-butyl-1H-indole;ethane;methane
CID 167617258
3-butan-2-yl-6-tert-butyl-1H-indole;6-tert-butyl-1H-indole-2-carbonitrile;6-tert-butyl-2-methyl-1H-indole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate;ethyl 2-(6-tert-butyl-1H-indol-3-yl)acetate;methane
CID 159675757
6-tert-butyl-1H-indene;1-tert-butylindole;5-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);ethane
CID 167669523
5-[5-[(2-chloro-5-methylphenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-5-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 167542424
6-tert-butyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;ethane
CID 167618466
5,6-bis(trifluoromethyl)-1H-indole
CID 175260165
3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide
CID 166392087
3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene
CID 157302153
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
5-tert-butyl-1H-indole-7-carbonitrile
CID 129148924
6-chloro-1H-indole-3-carbonitrile
CID 34177040

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole (CID 159501951) is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1ccc2c(C#N)c[nH]c2c1.CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)C1=C(CCCC1)C2.CC(C)(C)c1ccc2c(c1)C=C(C#N)C2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC1=CCc2cccc(C(C)(C)C)c21.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole?
The InChIKey is LZMQFMNSQHVXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.2C16H23N.C14H15N.C14H19N.C14H18.C13H14F3N.C13H14N2.C13H17N.C13H16.C12H14ClN.C12H14FN.C12H15N/c1-17(2,3)14-9-8-13-10-12-6-4-5-7-15(12)16(13)11-14;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-14(2,3)13-5-4-11-6-10(9-15)7-12(11)8-13;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-10-8-9-11-6-5-7-12(13(10)11)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;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;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h8-9,11H,4-7,10H2,1-3H3;2*7-10,17H,1-6H3;4-5,7-8H,6H2,1-3H3;6-9,15H,5H2,1-4H3;5-8H,9H2,1-4H3;4-7,17H,1-3H3;4-6,8,15H,1-3H3;5-8,14H,1-4H3;4-5,7-9H,6H2,1-3H3;2*4-7,14H,1-3H3;4-8,13H,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole?
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole has a molecular weight of 2641.28 g/mol, XLogP of 52.15, 1 rotatable bonds, 9 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole is sourced from PubChem (CID 159501951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).