3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene

C197H226Cl2F5N3 — CID 157159911

IUPAC3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene
SMILESCC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1cccc2cc(F)ccc12.CC(C)(C)c1cccc2ccc(F)cc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2c(F)cccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)cccc2c1.Cc1ccc2cccc(C(C)(C)C)c2c1.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cccc(C(C)(C)C)c12
InChIInChI=1S/5C15H18.4C14H15F.C14H17N.C14H16.C13H15Cl.C13H14FN.C12H14ClN/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4;1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-11-9-12-7-5-6-8-13(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)13-6-4-5-10-9-11(15)7-8-12(10)13;1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13;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;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5*5-10H,1-4H3;4*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;4-7,14H,1-3H3
InChIKeyAMGCOYFYEIJNLR-UHFFFAOYSA-N
MW2801.89 g/mol
LogP59.43
Rot. Bonds

About 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene

3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene (PubChem CID 157159911) has the molecular formula C197H226Cl2F5N3 and a molecular weight of 2801.89 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene
PubChem CID157159911
Molecular FormulaC197H226Cl2F5N3
Molecular Weight2801.89 g/mol
Exact Mass2798.71
IUPAC Name3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene
SMILESCC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1cccc2cc(F)ccc12.CC(C)(C)c1cccc2ccc(F)cc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2c(F)cccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)cccc2c1.Cc1ccc2cccc(C(C)(C)C)c2c1.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cccc(C(C)(C)C)c12
InChIInChI=1S/5C15H18.4C14H15F.C14H17N.C14H16.C13H15Cl.C13H14FN.C12H14ClN/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4;1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-11-9-12-7-5-6-8-13(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)13-6-4-5-10-9-11(15)7-8-12(10)13;1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13;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;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5*5-10H,1-4H3;4*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;4-7,14H,1-3H3
InChIKeyAMGCOYFYEIJNLR-UHFFFAOYSA-N
XLogP59.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002801.89
LogP ≤ 559.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene with MolForge

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Related Compounds

6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
CID 118449718
6-chloro-2-(4-fluoro-1H-indol-3-yl)quinoline
CID 18729692
6-chloro-2-(5-fluoro-1H-indol-3-yl)quinoline
CID 18729699
6-chloro-2-(6-fluoro-1H-indol-3-yl)quinoline
CID 22617014
9-Chloro-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 300858
9-chloro-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazole
CID 3332765
1-[4-fluoro-2-(1H-indol-3-yl)naphthalen-1-yl]isoquinoline
CID 177856830
1-[2-(5-fluoro-1H-indol-3-yl)naphthalen-1-yl]isoquinoline
CID 177856836
1-(5-chloro-1H-indol-3-yl)-3-phenylisoquinoline
CID 135034886
6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline
CID 57136708
5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole
CID 58485717

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene?
The IUPAC name of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene (CID 157159911) is 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene.
What is the SMILES notation for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene?
The canonical SMILES for 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene is CC(C)(C)C1=CCc2cccc(Cl)c21.CC(C)(C)c1c(F)ccc2ccccc12.CC(C)(C)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)c1cc(F)cc2ccccc12.CC(C)(C)c1cccc2cc(F)ccc12.CC(C)(C)c1cccc2ccc(F)cc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc2c(F)cccc12.Cc1cc(C(C)(C)C)c2ccccc2c1.Cc1ccc2c(C(C)(C)C)cccc2c1.Cc1ccc2cccc(C(C)(C)C)c2c1.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc2c(C(C)(C)C)ccnc12.Cc1cccc2cccc(C(C)(C)C)c12.
What is the InChIKey of 3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene?
The InChIKey is AMGCOYFYEIJNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H18.4C14H15F.C14H17N.C14H16.C13H15Cl.C13H14FN.C12H14ClN/c1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4;1-11-8-9-12-6-5-7-14(13(12)10-11)15(2,3)4;1-11-9-12-7-5-6-8-13(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)13-6-4-5-10-9-11(15)7-8-12(10)13;1-14(2,3)13-6-4-5-10-7-8-11(15)9-12(10)13;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;1-10-6-5-7-11-12(14(2,3)4)8-9-15-13(10)11;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-7-9-5-4-6-11(14)12(9)10;1-13(2,3)10-7-8-15-12-9(10)5-4-6-11(12)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h5*5-10H,1-4H3;4*4-9H,1-3H3;5-9H,1-4H3;4-10H,1-3H3;4-6,8H,7H2,1-3H3;4-8H,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-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene?
3-tert-butyl-4-chloro-1H-indene;3-tert-butyl-5-chloro-1H-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene has a molecular weight of 2801.89 g/mol, XLogP of 59.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 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-indole;1-tert-butyl-2-fluoronaphthalene;1-tert-butyl-3-fluoronaphthalene;1-tert-butyl-6-fluoronaphthalene;1-tert-butyl-7-fluoronaphthalene;4-tert-butyl-8-fluoroquinoline;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-3-methylnaphthalene;1-tert-butyl-6-methylnaphthalene;1-tert-butyl-7-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;4-tert-butyl-8-methylquinoline;1-tert-butylnaphthalene is sourced from PubChem (CID 157159911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).