1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline

C128H155FN6S — CID 159972290

IUPAC1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)cnc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ncc3c2)cc1.CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(-c2nc3ccc(C(C)(C)C)cc3s2)cc1
InChIInChI=1S/C23H27N.2C22H26N2.C21H25NS.C20H25F.C20H26/c1-22(2,3)19-11-7-16(8-12-19)17-9-13-20-18(15-17)10-14-21(24-20)23(4,5)6;1-21(2,3)18-10-7-15(8-11-18)16-9-12-19-17(13-16)14-23-20(24-19)22(4,5)6;1-21(2,3)17-10-7-15(8-11-17)16-9-12-18-19(13-16)23-14-20(24-18)22(4,5)6;1-20(2,3)15-9-7-14(8-10-15)19-22-17-12-11-16(21(4,5)6)13-18(17)23-19;1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6;1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-15H,1-6H3;2*7-14H,1-6H3;7-13H,1-6H3;7-13H,1-6H3;7-14H,1-6H3
InChIKeyOERXMQHDAZMWFB-UHFFFAOYSA-N
MW1828.75 g/mol
LogP36.88
Rot. Bonds6

About 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline

1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline (PubChem CID 159972290) has the molecular formula C128H155FN6S and a molecular weight of 1828.75 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline.

Molecular Properties

Compound Name1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline
PubChem CID159972290
Molecular FormulaC128H155FN6S
Molecular Weight1828.75 g/mol
Exact Mass1827.20
IUPAC Name1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)cnc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ncc3c2)cc1.CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(-c2nc3ccc(C(C)(C)C)cc3s2)cc1
InChIInChI=1S/C23H27N.2C22H26N2.C21H25NS.C20H25F.C20H26/c1-22(2,3)19-11-7-16(8-12-19)17-9-13-20-18(15-17)10-14-21(24-20)23(4,5)6;1-21(2,3)18-10-7-15(8-11-18)16-9-12-19-17(13-16)14-23-20(24-19)22(4,5)6;1-21(2,3)17-10-7-15(8-11-17)16-9-12-18-19(13-16)23-14-20(24-18)22(4,5)6;1-20(2,3)15-9-7-14(8-10-15)19-22-17-12-11-16(21(4,5)6)13-18(17)23-19;1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6;1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-15H,1-6H3;2*7-14H,1-6H3;7-13H,1-6H3;7-13H,1-6H3;7-14H,1-6H3
InChIKeyOERXMQHDAZMWFB-UHFFFAOYSA-N
XLogP36.88
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001828.75
LogP ≤ 536.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline with MolForge

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Related Compounds

1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
2,7-ditert-butylquinoxaline
CID 134411063
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-1,3-benzothiazole
CID 153310078
2-tert-butyl-6-(4-propan-2-ylphenyl)quinoline
CID 118368950
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene;2-tert-butyl-5,6,11,12-tetrakis(4-tert-butylphenyl)-8-methyltetracene;6-methyl-2-[4-[12-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-6,11-diphenyltetracen-5-yl]phenyl]-1,3-benzothiazole;5,6,11,12-tetranaphthalen-2-yltetracene;5,6,11,12-tetraphenyltetracene
CID 160700143
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[4-[6-[6-(2,3,4,5,6-pentafluorophenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850313

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline?
The IUPAC name of 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline (CID 159972290) is 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline.
What is the SMILES notation for 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline?
The canonical SMILES for 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)c(F)c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ccc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)cnc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3nc(C(C)(C)C)ncc3c2)cc1.CC(C)(C)c1ccc(-c2cccc(C(C)(C)C)c2)cc1.CC(C)(C)c1ccc(-c2nc3ccc(C(C)(C)C)cc3s2)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline?
The InChIKey is OERXMQHDAZMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N.2C22H26N2.C21H25NS.C20H25F.C20H26/c1-22(2,3)19-11-7-16(8-12-19)17-9-13-20-18(15-17)10-14-21(24-20)23(4,5)6;1-21(2,3)18-10-7-15(8-11-18)16-9-12-19-17(13-16)14-23-20(24-19)22(4,5)6;1-21(2,3)17-10-7-15(8-11-17)16-9-12-18-19(13-16)23-14-20(24-18)22(4,5)6;1-20(2,3)15-9-7-14(8-10-15)19-22-17-12-11-16(21(4,5)6)13-18(17)23-19;1-19(2,3)16-10-7-14(8-11-16)15-9-12-17(18(21)13-15)20(4,5)6;1-19(2,3)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20(4,5)6/h7-15H,1-6H3;2*7-14H,1-6H3;7-13H,1-6H3;7-13H,1-6H3;7-14H,1-6H3.
What are the key properties of 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline?
1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline has a molecular weight of 1828.75 g/mol, XLogP of 36.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-tert-butylphenyl)benzene;6-tert-butyl-2-(4-tert-butylphenyl)-1,3-benzothiazole;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;2-tert-butyl-6-(4-tert-butylphenyl)quinazoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoline;2-tert-butyl-6-(4-tert-butylphenyl)quinoxaline is sourced from PubChem (CID 159972290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).