6-tert-butyl-1H-indene;6-tert-butylquinoxaline

C25H30N2 — CID 161072666

IUPAC6-tert-butyl-1H-indene;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2nccnc2c1
InChIInChI=1S/C13H16.C12H14N2/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-5,7-9H,6H2,1-3H3;4-8H,1-3H3
InChIKeyUEWBDVJTRJVIQE-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.48
Rot. Bonds

About 6-tert-butyl-1H-indene;6-tert-butylquinoxaline

6-tert-butyl-1H-indene;6-tert-butylquinoxaline (PubChem CID 161072666) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 6-tert-butyl-1H-indene;6-tert-butylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-1H-indene;6-tert-butylquinoxaline
PubChem CID161072666
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name6-tert-butyl-1H-indene;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2nccnc2c1
InChIInChI=1S/C13H16.C12H14N2/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-5,7-9H,6H2,1-3H3;4-8H,1-3H3
InChIKeyUEWBDVJTRJVIQE-UHFFFAOYSA-N
XLogP6.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
5-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;6-tert-butyl-1H-indole;ethane
CID 165013385
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
2,7-ditert-butylphenazine
CID 59610780
6-[2-(3H-inden-5-yl)ethyl]-1H-indene
CID 142633799
3H-inden-5-ol
CID 21274580
2,2-dimethylpropane;1H-indene
CID 91444603
7-tert-butyl-4-methylquinoline
CID 176586336
6-methoxy-1H-indene
CID 22155588
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
pentafluoro(3H-inden-5-yl)-λ6-sulfane
CID 87609091

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-indene;6-tert-butylquinoxaline?
The IUPAC name of 6-tert-butyl-1H-indene;6-tert-butylquinoxaline (CID 161072666) is 6-tert-butyl-1H-indene;6-tert-butylquinoxaline.
What is the SMILES notation for 6-tert-butyl-1H-indene;6-tert-butylquinoxaline?
The canonical SMILES for 6-tert-butyl-1H-indene;6-tert-butylquinoxaline is CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2nccnc2c1.
What is the InChIKey of 6-tert-butyl-1H-indene;6-tert-butylquinoxaline?
The InChIKey is UEWBDVJTRJVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C12H14N2/c1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10/h4-5,7-9H,6H2,1-3H3;4-8H,1-3H3.
What are the key properties of 6-tert-butyl-1H-indene;6-tert-butylquinoxaline?
6-tert-butyl-1H-indene;6-tert-butylquinoxaline has a molecular weight of 358.53 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-indene;6-tert-butylquinoxaline is sourced from PubChem (CID 161072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).