tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine

C150H201Cl3F14N2 — CID 158635147

IUPACtert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)c(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(F)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F3.3C11H15Cl.C11H12F4.6C11H15F.C10H14.C9H12FN.C9H13N/c1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-4-5-8(9(12)6-7)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;3*1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyHZRIRVNQXKXLNJ-UHFFFAOYSA-N
MW2404.60 g/mol
LogP48.76
Rot. Bonds

About tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine

tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine (PubChem CID 158635147) has the molecular formula C150H201Cl3F14N2 and a molecular weight of 2404.60 g/mol. Its IUPAC name is tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine.

Molecular Properties

Compound Nametert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine
PubChem CID158635147
Molecular FormulaC150H201Cl3F14N2
Molecular Weight2404.60 g/mol
Exact Mass2401.46
IUPAC Nametert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)c(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(F)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H15F3.3C11H15Cl.C11H12F4.6C11H15F.C10H14.C9H12FN.C9H13N/c1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-4-5-8(9(12)6-7)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;3*1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3
InChIKeyHZRIRVNQXKXLNJ-UHFFFAOYSA-N
XLogP48.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002404.60
LogP ≤ 548.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine with MolForge

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Related Compounds

3-[1-[3-chloro-5-[(E)-2-(4-pyridin-4-ylphenyl)ethenyl]phenyl]-2-methylprop-1-enyl]pyridine
CID 122451518
Pyridine, 4,4'-((2,2'''',3,3'''',5,5'''',6,6''''-octafluoro(1,1':3',1'':3'',1''':3''',1''''-quinquephenyl)-4,4''''-diyl)bis(methylene))bis-
CID 12158472
4,4'-(4''-(tert-Butyl)-4-chloro-6'-phenyl-5'-(4-(trifluoromethyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-diyl)dipyridine
CID 86341907
2-(4,4'-Di-tert-butyl-2'-(5-chloro-3-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908890
2-(4'-(Tert-butyl)-4-chloro-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908905
2,2'-(4,4'-Di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(5-chloro-3-fluoropyridine)
CID 155908919
Tris(2-[4-chloro-3-(trifluoromethyl)phenyl]pyridine);iridium(3+)
CID 22184121
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
CID 58921703
3-[5-[4-(2,4-Dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
CID 59609354
3-[5-[4-(2,4-Dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
CID 59609365
3-[2,3,4,6-Tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
CID 59609375
3-[3-[2,5-Bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
CID 59609380

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine?
The IUPAC name of tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine (CID 158635147) is tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine.
What is the SMILES notation for tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine?
The canonical SMILES for tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine is CC(C)(C)c1ccc(C(F)(F)F)c(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(F)c1.Cc1cc(C(C)(C)C)cc(C(F)(F)F)c1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1cc(F)cc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine?
The InChIKey is HZRIRVNQXKXLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3.3C11H15Cl.C11H12F4.6C11H15F.C10H14.C9H12FN.C9H13N/c1-8-5-9(11(2,3)4)7-10(6-8)12(13,14)15;2*1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)7-4-5-8(9(12)6-7)11(13,14)15;1-8-5-9(11(2,3)4)7-10(12)6-8;3*1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-8-5-6-9(7-10(8)12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;6*5-7H,1-4H3;4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3.
What are the key properties of tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine?
tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine has a molecular weight of 2404.60 g/mol, XLogP of 48.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;bis(1-tert-butyl-3-chloro-5-methylbenzene);4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;tris(4-tert-butyl-1-fluoro-2-methylbenzene);bis(4-tert-butyl-2-fluoro-1-methylbenzene);4-tert-butyl-2-fluoropyridine;4-tert-butyl-2-fluoro-1-(trifluoromethyl)benzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;3-tert-butylpyridine is sourced from PubChem (CID 158635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).