3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline

C272H326Cl3F5N8 — CID 158607490

IUPAC3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline
SMILESCC(C)(C)C1=CCc2cc(F)ccc21.CC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1ccnc2ccccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2nccc(C(C)(C)C)c2c1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2c1C(C(C)(C)C)=CC2.Cc1cccc2nccc(C(C)(C)C)c12
InChIInChI=1S/2C15H18.2C14H15F.4C14H17N.3C14H18.2C13H15Cl.3C13H15F.2C13H17N.C13H15N.C12H14ClN/c1-11-9-12-7-5-6-8-13(12)14(10-11)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-10-5-6-13-11(9-10)12(7-8-15-13)14(2,3)4;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-12-13(10)11(8-9-15-12)14(2,3)4;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;2*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11/h2*5-10H,1-4H3;2*4-9H,1-3H3;4*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;5-8H,4H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;2*5-8,14H,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3
InChIKeyHWKLWXAUZFOZHW-UHFFFAOYSA-N
MW3909.00 g/mol
LogP80.03
Rot. Bonds

About 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline

3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline (PubChem CID 158607490) has the molecular formula C272H326Cl3F5N8 and a molecular weight of 3909.00 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline
PubChem CID158607490
Molecular FormulaC272H326Cl3F5N8
Molecular Weight3909.00 g/mol
Exact Mass3904.47
IUPAC Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline
SMILESCC(C)(C)C1=CCc2cc(F)ccc21.CC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1ccnc2ccccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2nccc(C(C)(C)C)c2c1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2c1C(C(C)(C)C)=CC2.Cc1cccc2nccc(C(C)(C)C)c12
InChIInChI=1S/2C15H18.2C14H15F.4C14H17N.3C14H18.2C13H15Cl.3C13H15F.2C13H17N.C13H15N.C12H14ClN/c1-11-9-12-7-5-6-8-13(12)14(10-11)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-10-5-6-13-11(9-10)12(7-8-15-13)14(2,3)4;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-12-13(10)11(8-9-15-12)14(2,3)4;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;2*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11/h2*5-10H,1-4H3;2*4-9H,1-3H3;4*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;5-8H,4H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;2*5-8,14H,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3
InChIKeyHWKLWXAUZFOZHW-UHFFFAOYSA-N
XLogP80.03
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms288
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003909.00
LogP ≤ 580.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline
CID 126544209
4-tert-butyl-8-chloroquinoline
CID 59637005
4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline
CID 158439768
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(6-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid;2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid;sulfane
CID 157382904
2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5,6-dimethyl-3H-inden-1-yl)-5-fluoroquinoline;8-fluoro-2-(4-methyl-3H-inden-1-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;hydrochloride
CID 158812362
1-tert-butyl-6-methylnaphthalene
CID 3019596
2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
CID 161263602
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-(4-tert-butylnaphthalen-2-yl)-8-(2,6-difluorophenyl)benzo[c][2,7]naphthyridine
CID 176751480
5-tert-butyl-2-chloro-3-methylbenzamide;1-tert-butyl-3-chloro-5-methylbenzene;bis(2-tert-butyl-5-chloro-4-methylphenol);bis(1-tert-butyl-2,4-dichloro-5-methylbenzene);bis(2-tert-butyl-5-fluoro-4-methylphenol);2-tert-butyl-4-methylphenol;1-tert-butylnaphthalene
CID 157151454
1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-methylanthracene;2-methylanthracene;5-methyl-1,9-dihydropyrene;6-methyl-1,9-dihydropyrene;7-methyl-1,9-dihydropyrene
CID 160554651
1-(5-chloro-2-fluorophenyl)-2-methylnaphthalene
CID 146211188

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline?
The IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline (CID 158607490) is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline.
What is the SMILES notation for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline?
The canonical SMILES for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline is CC(C)(C)C1=CCc2cc(F)ccc21.CC(C)(C)C1=CCc2ccc(Cl)cc21.CC(C)(C)C1=CCc2ccc(F)cc21.CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)C1=CCc2cccc(F)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2cc(Cl)ccc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1ccnc2ccccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc2c(c1)C(C(C)(C)C)=CC2.Cc1ccc2c(c1)CC=C2C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1ccc2nccc(C(C)(C)C)c2c1.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)c[nH]c12.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2c1C(C(C)(C)C)=CC2.Cc1cccc2nccc(C(C)(C)C)c12.
What is the InChIKey of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline?
The InChIKey is HWKLWXAUZFOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18.2C14H15F.4C14H17N.3C14H18.2C13H15Cl.3C13H15F.2C13H17N.C13H15N.C12H14ClN/c1-11-9-12-7-5-6-8-13(12)14(10-11)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-11-7-5-4-6-10(11)8-9-12(13)15;1-10-5-6-13-11(9-10)12(7-8-15-13)14(2,3)4;1-10-5-6-11-12(14(2,3)4)7-8-15-13(11)9-10;1-10-6-5-7-12-13(10)11(8-9-15-12)14(2,3)4;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-10-5-7-12-11(9-10)6-8-13(12)14(2,3)4;1-10-5-6-11-7-8-13(12(11)9-10)14(2,3)4;1-10-6-5-7-11-8-9-12(13(10)11)14(2,3)4;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)12;1-13(2,3)12-7-5-9-4-6-10(14)8-11(9)12;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;2*1-9-6-5-7-10-11(13(2,3)4)8-14-12(9)10;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-7-14-11-6-8(13)4-5-9(10)11/h2*5-10H,1-4H3;2*4-9H,1-3H3;4*5-9H,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;5-7,9H,8H2,1-4H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;5-8H,4H2,1-3H3;4,6-8H,5H2,1-3H3;4-6,8H,7H2,1-3H3;2*5-8,14H,1-4H3;4-9H,1-3H3;4-7,14H,1-3H3.
What are the key properties of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline?
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline has a molecular weight of 3909.00 g/mol, XLogP of 80.03, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indene;3-tert-butyl-6-chloro-1H-indole;3-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-fluoro-1H-indene;3-tert-butyl-6-fluoro-1H-indene;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;3-tert-butyl-4-methyl-1H-indene;3-tert-butyl-5-methyl-1H-indene;3-tert-butyl-6-methyl-1H-indene;bis(3-tert-butyl-7-methyl-1H-indole);1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butyl-5-methylquinoline;4-tert-butyl-6-methylquinoline;4-tert-butyl-7-methylquinoline;4-tert-butyl-8-methylquinoline;4-tert-butylquinoline is sourced from PubChem (CID 158607490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).