4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline

C106H123N7S — CID 159132605

IUPAC4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline
SMILESCC(C)(C)c1ccc2c(c1)N=NC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2c1Cc1ccccc1-2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2nsnc12.Cc1ccc2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C17H18.C14H17N.2C14H16.2C13H15N.C11H14N2.C10H12N2S/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16;1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8/h4-10H,11H2,1-3H3;5-9H,1-4H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyKHBZGMAKSYRORB-UHFFFAOYSA-N
MW1527.27 g/mol
LogP30.31
Rot. Bonds

About 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline

4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline (PubChem CID 159132605) has the molecular formula C106H123N7S and a molecular weight of 1527.27 g/mol. Its IUPAC name is 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline.

Molecular Properties

Compound Name4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline
PubChem CID159132605
Molecular FormulaC106H123N7S
Molecular Weight1527.27 g/mol
Exact Mass1525.96
IUPAC Name4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline
SMILESCC(C)(C)c1ccc2c(c1)N=NC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2c1Cc1ccccc1-2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2nsnc12.Cc1ccc2cccc(C(C)(C)C)c2n1
InChIInChI=1S/C17H18.C14H17N.2C14H16.2C13H15N.C11H14N2.C10H12N2S/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16;1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8/h4-10H,11H2,1-3H3;5-9H,1-4H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyKHBZGMAKSYRORB-UHFFFAOYSA-N
XLogP30.31
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.27
LogP ≤ 530.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline with MolForge

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Related Compounds

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
8-(9H-fluoren-1-yl)quinoline
CID 151254514
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
tert-butylbenzene;tert-butylcyclopropane;1-tert-butylnaphthalene;2-tert-butylnaphthalene;ethane
CID 158112502
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
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
4-tert-butylisoquinoline;5-tert-butyl-3-methyl-2H-indazole;5-tert-butylquinoline;methyl 3-tert-butyl-4-methylbenzoate
CID 159333233
2,5-ditert-butylquinoline;2,6-ditert-butylquinoline;2,7-ditert-butylquinoline;2,8-ditert-butylquinoline;3,5-ditert-butylquinoline;3,6-ditert-butylquinoline;3,7-ditert-butylquinoline;3,8-ditert-butylquinoline;4,5-ditert-butylquinoline;4,6-ditert-butylquinoline;4,7-ditert-butylquinoline;4,8-ditert-butylquinoline;ethane
CID 162096604
benzo[f]quinoline;iodomethane
CID 21121996
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline?
The IUPAC name of 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline (CID 159132605) is 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline.
What is the SMILES notation for 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline?
The canonical SMILES for 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline is CC(C)(C)c1ccc2c(c1)N=NC2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2c1Cc1ccccc1-2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2nsnc12.Cc1ccc2cccc(C(C)(C)C)c2n1.
What is the InChIKey of 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline?
The InChIKey is KHBZGMAKSYRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C14H17N.2C14H16.2C13H15N.C11H14N2.C10H12N2S/c1-17(2,3)16-10-6-9-14-13-8-5-4-7-12(13)11-15(14)16;1-10-8-9-11-6-5-7-12(13(11)15-10)14(2,3)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8/h4-10H,11H2,1-3H3;5-9H,1-4H3;2*4-10H,1-3H3;2*4-9H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3.
What are the key properties of 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline?
4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline has a molecular weight of 1527.27 g/mol, XLogP of 30.31, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,1,3-benzothiadiazole;1-tert-butyl-9H-fluorene;6-tert-butyl-3H-indazole;8-tert-butyl-2-methylquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline is sourced from PubChem (CID 159132605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).