bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene

C88H120F6N4O — CID 158101247

IUPACbis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc2ccc(C(C)(C)C)nc12
InChIInChI=1S/C14H17N.C11H13F3O.C11H13F3.2C11H16.3C10H15N/c1-10-6-5-7-11-8-9-12(14(2,3)4)15-13(10)11;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4/h5-9H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyFPGYNFJPNWVUPK-UHFFFAOYSA-N
MW1363.94 g/mol
LogP26.37
Rot. Bonds1

About bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene

bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 158101247) has the molecular formula C88H120F6N4O and a molecular weight of 1363.94 g/mol. Its IUPAC name is bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID158101247
Molecular FormulaC88H120F6N4O
Molecular Weight1363.94 g/mol
Exact Mass1362.94
IUPAC Namebis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc2ccc(C(C)(C)C)nc12
InChIInChI=1S/C14H17N.C11H13F3O.C11H13F3.2C11H16.3C10H15N/c1-10-6-5-7-11-8-9-12(14(2,3)4)15-13(10)11;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4/h5-9H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-7H,1-4H3
InChIKeyFPGYNFJPNWVUPK-UHFFFAOYSA-N
XLogP26.37
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.94
LogP ≤ 526.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

4-[(S)-[(1S,2R,4S,5R)-1-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline bromide
CID 44276661
4-[(R)-[(1S,2S,4S,5R)-1-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-phenylmethoxymethyl]quinoline bromide
CID 44276740
2-[[4-[5-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196339
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine
CID 164614671
3-[1-(4-Methoxyphenyl)benzo[f][1,7]naphthyridin-3-yl]benzonitrile
CID 132849957
1-(4-Methoxyphenyl)-3-phenylbenzo[f][1,7]naphthyridine
CID 132849958
1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine
CID 137647266
1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine;hydrochloride
CID 137650520
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095341
3-[2,4-Bis(trifluoromethyl)phenyl]-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137651159
1-(4-Methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f][1,7]naphthyridine
CID 137651725
1-(4-Methoxyphenyl)-3-naphthalen-2-ylbenzo[f][1,7]naphthyridine
CID 137652202

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene (CID 158101247) is bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene is CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc2ccc(C(C)(C)C)nc12.
What is the InChIKey of bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is FPGYNFJPNWVUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C11H13F3O.C11H13F3.2C11H16.3C10H15N/c1-10-6-5-7-11-8-9-12(14(2,3)4)15-13(10)11;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;2*1-9-5-7-10(8-6-9)11(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-8-5-6-9(11-7-8)10(2,3)4/h5-9H,1-4H3;4-7H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-7H,1-4H3.
What are the key properties of bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene?
bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 1363.94 g/mol, XLogP of 26.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-8-methylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158101247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).