tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline

C196H224Cl2F9N17O2 — CID 159614604

IUPACtert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyMNCZBUINZPCMDS-UHFFFAOYSA-N
MW3091.95 g/mol
LogP55.43
Rot. Bonds3

About tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline

tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline (PubChem CID 159614604) has the molecular formula C196H224Cl2F9N17O2 and a molecular weight of 3091.95 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
PubChem CID159614604
Molecular FormulaC196H224Cl2F9N17O2
Molecular Weight3091.95 g/mol
Exact Mass3088.72
IUPAC Nametert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline
SMILESCC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1
InChIInChI=1S/C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3
InChIKeyMNCZBUINZPCMDS-UHFFFAOYSA-N
XLogP55.43
TPSA242.76 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003091.95
LogP ≤ 555.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The IUPAC name of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline (CID 159614604) is tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline is CC(C)(C)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.CC(C)(C)c1ccc(Cl)cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)(C)c1ccnc2cc(Cl)ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc(-n2ccnc2)nc2ccccc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncnc2ccccc12.COc1ccc2c(C(C)(C)C)cc(N)nc2c1.COc1ccc2c(C(C)(C)C)ccnc2c1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
The InChIKey is MNCZBUINZPCMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N.C15H16N4.C14H14F3N.C14H18N2O.C14H17NO.2C14H16.C13H14ClN.4C13H15N.C12H14N2.C10H14.C9H12ClN/c1-13(2,3)10-7-11(15(19,20)21)22-12-8(10)5-4-6-9(12)14(16,17)18;1-15(2,3)13-11-6-4-5-7-12(11)17-14(18-13)19-9-8-16-10-19;1-13(2,3)11-6-7-18-12-8-9(14(15,16)17)4-5-10(11)12;1-14(2,3)11-8-13(15)16-12-7-9(17-4)5-6-10(11)12;1-14(2,3)12-7-8-15-13-9-10(16-4)5-6-11(12)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-15-12-8-9(14)4-5-10(11)12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-7(10)6-11-8/h4-7H,1-3H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3,(H2,15,16);5-9H,1-4H3;2*4-10H,1-3H3;4-8H,1-3H3;4*4-9H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-6H,1-3H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline?
tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline has a molecular weight of 3091.95 g/mol, XLogP of 55.43, 3 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-2,8-bis(trifluoromethyl)quinoline;2-tert-butyl-5-chloropyridine;4-tert-butyl-7-chloroquinoline;4-tert-butyl-2-imidazol-1-ylquinazoline;1-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;4-tert-butyl-7-methoxyquinolin-2-amine;4-tert-butyl-7-methoxyquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylquinazoline;4-tert-butylquinoline;4-tert-butyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 159614604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).