tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine

C278H423Cl4F8N9O4 — CID 161327582

IUPACtris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)C1=NC(c2ccccc2)=CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15N.2C12H18O.3C11H15Cl.C11H13F3.3C11H15F.C11H16O.3C11H16.C10H13Cl.2C10H13F.2C10H21N.3C10H14.C9H13N.C9H19N.C8H18N2.C8H17NO.C6H15N/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h3-7,9-10H,8H2,1-2H3;2*6-8H,1-5H3;3*5-7H,1-4H3;4-7H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3;9H,5-8H2,1-4H3;9,11H,4-8H2,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;1-5H3
InChIKeyVKYYKVBIDFGRKB-UHFFFAOYSA-N
MW4249.30 g/mol
LogP81.00
Rot. Bonds6

About tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine

tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine (PubChem CID 161327582) has the molecular formula C278H423Cl4F8N9O4 and a molecular weight of 4249.30 g/mol. Its IUPAC name is tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Nametris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine
PubChem CID161327582
Molecular FormulaC278H423Cl4F8N9O4
Molecular Weight4249.30 g/mol
Exact Mass4244.18
IUPAC Nametris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)C1=NC(c2ccccc2)=CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H15N.2C12H18O.3C11H15Cl.C11H13F3.3C11H15F.C11H16O.3C11H16.C10H13Cl.2C10H13F.2C10H21N.3C10H14.C9H13N.C9H19N.C8H18N2.C8H17NO.C6H15N/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h3-7,9-10H,8H2,1-2H3;2*6-8H,1-5H3;3*5-7H,1-4H3;4-7H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3;9H,5-8H2,1-4H3;9,11H,4-8H2,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;1-5H3
InChIKeyVKYYKVBIDFGRKB-UHFFFAOYSA-N
XLogP81.00
TPSA102.43 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004249.30
LogP ≤ 581.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1,2-bis(4-chlorophenyl)-1,2-dipyridin-2-yl-N,N'-bis[[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]ethane-1,2-diamine
CID 137423596
(2R)-1,2-bis(4-chlorophenyl)-N,N'-bis[[1-[2-(2,5-difluorophenoxy)ethyl]piperidin-4-yl]methyl]-1,2-dipyridin-2-ylethane-1,2-diamine
CID 137423662
1-Chloro-4-methylbenzene;1,3-difluoro-5-methylbenzene;4,4-difluoro-1-methylpiperidine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;methane;1-methoxy-4-methylbenzene;methylcyclohexane;4-methylmorpholine;4-methyloxane;3-methylpyridine;4-methylpyridine;1-methyl-4-(trifluoromethyl)benzene;toluene;1,2-xylene
CID 157393978
7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 157449104
1-(2-bromoethoxy)-2-(trifluoromethyl)benzene;1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)-1-pyridin-2-ylmethanamine;1-(4-chlorophenyl)-N-methyl-1-pyridin-2-yl-N-[[1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]methanamine
CID 157703111
CID 157835122
CID 157835122
CID 157845961
CID 157845961
5-chloro-3,3-difluoro-8-methyl-6-propan-2-yl-2,4-dihydrochromene;5-chloro-4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;5-chloro-8-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-chloro-8-propan-2-ylquinoline;5-chloro-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4,4-difluoro-6-propan-2-yl-2,3-dihydro-1H-naphthalene;4,4-difluoro-7-propan-2-yl-2,3-dihydro-1H-naphthalene;4,5-dimethyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;7-fluoro-5-methyl-8-propan-2-ylquinoline;5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;8-methyl-7-propan-2-yl-3,4-dihydro-2H-chromene;4-methyl-8-propan-2-ylquinoline;5-methyl-8-propan-2-ylquinoline;8-propan-2-ylquinoline
CID 158706595
CID 158718040
CID 158718040
5-(2-Chlorophenyl)-2-propan-2-ylpyridine;5-(3-chlorophenyl)-2-propan-2-ylpyridine;1-chloro-4-propan-2-ylbenzene;1-chloro-3-(4-propan-2-ylphenyl)benzene;5-(2-fluorophenyl)-2-propan-2-ylpyridine;5-(3-fluorophenyl)-2-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-propan-2-ylbenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158916795
CID 158948271
CID 158948271
CID 159435609
CID 159435609

Frequently Asked Questions

What is the IUPAC name of tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine?
The IUPAC name of tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine (CID 161327582) is tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)NC1CCCCC1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)C1=NC(c2ccccc2)=CC1.CC1CCN(C(C)(C)C)CC1.CN(C)C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1C.COc1ccc(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)ccc1C(C)(C)C.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine?
The InChIKey is VKYYKVBIDFGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.2C12H18O.3C11H15Cl.C11H13F3.3C11H15F.C11H16O.3C11H16.C10H13Cl.2C10H13F.2C10H21N.3C10H14.C9H13N.C9H19N.C8H18N2.C8H17NO.C6H15N/c1-10(2)12-8-9-13(14-12)11-6-4-3-5-7-11;2*1-9-8-10(12(2,3)4)6-7-11(9)13-5;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-8-7-9(12)5-6-10(8)11(2,3)4;2*1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-5-7-10(12-4)8-6-9;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;3*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h3-7,9-10H,8H2,1-2H3;2*6-8H,1-5H3;3*5-7H,1-4H3;4-7H,1-3H3;3*5-7H,1-4H3;5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3;9H,5-8H2,1-4H3;9,11H,4-8H2,1-3H3;3*4-8H,1-3H3;4-7H,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;1-5H3.
What are the key properties of tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine?
tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine has a molecular weight of 4249.30 g/mol, XLogP of 81.00, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butylbenzene);1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-chloro-2-methylbenzene;bis(4-tert-butyl-1-chloro-2-methylbenzene);N-tert-butylcyclohexanamine;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(4-tert-butyl-1-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;bis(4-tert-butyl-1-methoxy-2-methylbenzene);1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene;5-phenyl-2-propan-2-yl-3H-pyrrole;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 161327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).