1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene

C197H253N9O6 — CID 158692354

IUPAC1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C1C=C(C(C)(C)C)C=CN1.CC(C)(C)C1=NCC(=O)c2ccccc21.CC(C)(C)Oc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc2c(c1)C(=O)CC21CC1.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccccc1Cc1ccccc1.Cc1cc(C)c(C)c(C(C)(C)C)c1C
InChIInChI=1S/C17H20.C16H18.C15H18O.C14H16.C14H22.C13H17NO.C13H15NO.C13H21NO.3C13H15N.C12H17N.C11H15NO.C10H15N.C10H14O/c1-17(2,3)16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-14(2,3)10-4-5-12-11(8-10)13(16)9-15(12)6-7-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-9-8-10(2)12(4)13(11(9)3)14(5,6)7;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)12-10-7-5-4-6-9(10)11(15)8-14-12;1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8/h4-12H,13H2,1-3H3;4-12H,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-10H,1-3H3;8H,1-7H3;4-6H,7-8H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;7-9H,1-6H3;3*4-9H,1-3H3;5-8H,1,13H2,2-4H3;4-7H,1-3H3,(H2,12,13);5-7,11H,1H2,2-4H3;4-7,11H,1-3H3
InChIKeyIGMXHOFNBZQDTF-UHFFFAOYSA-N
MW2843.25 g/mol
LogP51.20
Rot. Bonds6

About 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene

1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene (PubChem CID 158692354) has the molecular formula C197H253N9O6 and a molecular weight of 2843.25 g/mol. Its IUPAC name is 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene
PubChem CID158692354
Molecular FormulaC197H253N9O6
Molecular Weight2843.25 g/mol
Exact Mass2840.98
IUPAC Name1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene
SMILESC=C(N)c1cccc(C(C)(C)C)c1.C=C1C=C(C(C)(C)C)C=CN1.CC(C)(C)C1=NCC(=O)c2ccccc21.CC(C)(C)Oc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc2c(c1)C(=O)CC21CC1.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccccc1Cc1ccccc1.Cc1cc(C)c(C)c(C(C)(C)C)c1C
InChIInChI=1S/C17H20.C16H18.C15H18O.C14H16.C14H22.C13H17NO.C13H15NO.C13H21NO.3C13H15N.C12H17N.C11H15NO.C10H15N.C10H14O/c1-17(2,3)16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-14(2,3)10-4-5-12-11(8-10)13(16)9-15(12)6-7-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-9-8-10(2)12(4)13(11(9)3)14(5,6)7;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)12-10-7-5-4-6-9(10)11(15)8-14-12;1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8/h4-12H,13H2,1-3H3;4-12H,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-10H,1-3H3;8H,1-7H3;4-6H,7-8H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;7-9H,1-6H3;3*4-9H,1-3H3;5-8H,1,13H2,2-4H3;4-7H,1-3H3,(H2,12,13);5-7,11H,1H2,2-4H3;4-7,11H,1-3H3
InChIKeyIGMXHOFNBZQDTF-UHFFFAOYSA-N
XLogP51.20
TPSA237.76 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.25
LogP ≤ 551.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene?
The IUPAC name of 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene (CID 158692354) is 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene is C=C(N)c1cccc(C(C)(C)C)c1.C=C1C=C(C(C)(C)C)C=CN1.CC(C)(C)C1=NCC(=O)c2ccccc21.CC(C)(C)Oc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc2c(c1)C(=O)CC21CC1.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccccc1-c1ccccc1.CC(C)(C)c1ccccc1Cc1ccccc1.Cc1cc(C)c(C)c(C(C)(C)C)c1C.
What is the InChIKey of 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene?
The InChIKey is IGMXHOFNBZQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C16H18.C15H18O.C14H16.C14H22.C13H17NO.C13H15NO.C13H21NO.3C13H15N.C12H17N.C11H15NO.C10H15N.C10H14O/c1-17(2,3)16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-14(2,3)10-4-5-12-11(8-10)13(16)9-15(12)6-7-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-9-8-10(2)12(4)13(11(9)3)14(5,6)7;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)12-10-7-5-4-6-9(10)11(15)8-14-12;1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8/h4-12H,13H2,1-3H3;4-12H,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-10H,1-3H3;8H,1-7H3;4-6H,7-8H2,1-3H3,(H,14,15);4-7H,8H2,1-3H3;7-9H,1-6H3;3*4-9H,1-3H3;5-8H,1,13H2,2-4H3;4-7H,1-3H3,(H2,12,13);5-7,11H,1H2,2-4H3;4-7,11H,1-3H3.
What are the key properties of 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene?
1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene has a molecular weight of 2843.25 g/mol, XLogP of 51.20, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-tert-butylbenzene;4-tert-butylbenzamide;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butylisoquinoline;1-tert-butyl-3H-isoquinolin-4-one;4-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-2-[(2-methylpropan-2-yl)oxy]pyridine;1-tert-butylnaphthalene;4-tert-butylphenol;1-tert-butyl-2-phenylbenzene;1-(3-tert-butylphenyl)ethenamine;5-tert-butylquinoline;8-tert-butylquinoline;6-tert-butylspiro[2H-indene-3,1'-cyclopropane]-1-one;3-tert-butyl-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 158692354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).