tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane

C217H319N31O — CID 160878091

IUPACtert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2nc[nH]c12.CC(C)(C)c1cnnc2ccccc12.CC(C)(C)c1ncnc2[nH]ccc12.CC(C)(C)c1ncnc2nc[nH]c12.CC(C)(C)c1nnnc2ccccc12
InChIInChI=1S/4C13H15N.C12H14N2O.5C12H14N2.C11H13N3.C11H14N2.2C10H13N3.C10H14.C9H12N4.16C2H6/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)11(15)14-7-13-10;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-12(2,3)10-8-13-14-11-7-5-4-6-9(10)11;1-11(2,3)10-8-6-4-5-7-9(8)12-14-13-10;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)7-4-5-11-9-8(7)12-6-13-9;1-10(2,3)8-7-4-5-11-9(7)13-6-12-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;16*1-2/h4*4-9H,1-3H3;4-7H,1-3H3,(H,13,14,15);5*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,11,12,13);4-8H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);16*1-2H3
InChIKeySMQZUQAQUVUGRS-UHFFFAOYSA-N
MW3378.15 g/mol
LogP61.73
Rot. Bonds

About tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane

tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane (PubChem CID 160878091) has the molecular formula C217H319N31O and a molecular weight of 3378.15 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane
PubChem CID160878091
Molecular FormulaC217H319N31O
Molecular Weight3378.15 g/mol
Exact Mass3375.59
IUPAC Nametert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2nc[nH]c12.CC(C)(C)c1cnnc2ccccc12.CC(C)(C)c1ncnc2[nH]ccc12.CC(C)(C)c1ncnc2nc[nH]c12.CC(C)(C)c1nnnc2ccccc12
InChIInChI=1S/4C13H15N.C12H14N2O.5C12H14N2.C11H13N3.C11H14N2.2C10H13N3.C10H14.C9H12N4.16C2H6/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)11(15)14-7-13-10;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-12(2,3)10-8-13-14-11-7-5-4-6-9(10)11;1-11(2,3)10-8-6-4-5-7-9(8)12-14-13-10;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)7-4-5-11-9-8(7)12-6-13-9;1-10(2,3)8-7-4-5-11-9(7)13-6-12-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;16*1-2/h4*4-9H,1-3H3;4-7H,1-3H3,(H,13,14,15);5*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,11,12,13);4-8H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);16*1-2H3
InChIKeySMQZUQAQUVUGRS-UHFFFAOYSA-N
XLogP61.73
TPSA431.16 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003378.15
LogP ≤ 561.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane with MolForge

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Related Compounds

5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butylisoquinoline;5-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;4-tert-butyl-1,8-naphthyridine;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylpyrimidine;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;5-tert-butylquinoxaline;5-tert-butyl-1,2-thiazole;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;3-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 161395341
5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
CID 167585846
4-tert-butyl-8-fluoroquinoline;1-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;8-tert-butylquinoline;5-tert-butylquinoxaline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline
CID 167610785
bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline
CID 160597576
5-bromo-7-tert-butylquinoxaline;3-tert-butylcinnoline;6-tert-butyl-2,3-dimethylquinoxaline;4-tert-butyl-8-fluoroquinazoline;6-tert-butyl-7-fluoroquinoxaline;5-tert-butyl-2-methylquinoxaline;6-tert-butyl-2-methylquinoxaline;6-tert-butyl-7-methylquinoxaline;8-tert-butyl-2-methylquinoxaline;4-tert-butylquinazoline;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;2-tert-butylquinoxaline;6-tert-butylquinoxaline
CID 161059007
ethane;1-methyl-2,6-naphthyridine;1-methyl-2,7-naphthyridine;3-methyl-1,5-naphthyridine;3-methyl-1,6-naphthyridine;3-methyl-1,7-naphthyridine;3-methyl-1,8-naphthyridine;5-methyl-1,6-naphthyridine;8-methyl-1,7-naphthyridine;4-methylquinazoline
CID 158792411
benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine
CID 158490962
pteridine;3H-pyrido[3,2-d]pyrimidin-4-one
CID 143210826
1,2,3-benzotriazine;1,2,4-benzotriazine;isoquinoline;methane;nonadecakis(2-methylpropane);bis(1,6-naphthyridine);tetrakis(1,7-naphthyridine);1,8-naphthyridine;bis(2,6-naphthyridine);tris(2,7-naphthyridine);3-propan-2-yl-1,2,4-benzotriazine;1-propan-2-ylphthalazine;pyrido[3,4-b]pyrazine;quinoline;quinoxaline
CID 167584846
carbanide;4-propan-2-ylcinnoline;5-propan-2-ylcinnoline;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-yl-2,6-naphthyridine;4-propan-2-yl-2,7-naphthyridine;5-propan-2-yl-1,7-naphthyridine;8-propan-2-yl-1,6-naphthyridine;1-propan-2-ylphthalazine;5-propan-2-ylquinazoline;8-propan-2-ylquinazoline;5-propan-2-ylquinoxaline;tetradecakis(yttrium)
CID 161159359
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane?
The IUPAC name of tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane (CID 160878091) is tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c(=O)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1ccnc2[nH]ccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2nc[nH]c12.CC(C)(C)c1cnnc2ccccc12.CC(C)(C)c1ncnc2[nH]ccc12.CC(C)(C)c1ncnc2nc[nH]c12.CC(C)(C)c1nnnc2ccccc12.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane?
The InChIKey is SMQZUQAQUVUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H15N.C12H14N2O.5C12H14N2.C11H13N3.C11H14N2.2C10H13N3.C10H14.C9H12N4.16C2H6/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)8-4-5-10-9(6-8)11(15)14-7-13-10;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-12(2,3)10-8-13-14-11-7-5-4-6-9(10)11;1-11(2,3)10-8-6-4-5-7-9(8)12-14-13-10;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-10(2,3)7-4-5-11-9-8(7)12-6-13-9;1-10(2,3)8-7-4-5-11-9(7)13-6-12-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;16*1-2/h4*4-9H,1-3H3;4-7H,1-3H3,(H,13,14,15);5*4-8H,1-3H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-6H,1-3H3,(H,11,12,13);4-8H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);16*1-2H3.
What are the key properties of tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane?
tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane has a molecular weight of 3378.15 g/mol, XLogP of 61.73, 0 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-1,2,3-benzotriazine;4-tert-butylcinnoline;7-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butylisoquinoline;6-tert-butylisoquinoline;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,6-naphthyridine;6-tert-butyl-7H-purine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylquinazoline;6-tert-butyl-3H-quinazolin-4-one;4-tert-butylquinoline;6-tert-butylquinoline;6-tert-butylquinoxaline;ethane is sourced from PubChem (CID 160878091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).