9-tert-butylacridine;4-tert-butylquinoline;ethane

C36H50N2 — CID 167564366

IUPAC9-tert-butylacridine;4-tert-butylquinoline;ethane
SMILESCC.CC.CC.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1ccnc2ccccc12
InChIInChI=1S/C17H17N.C13H15N.3C2H6/c1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;3*1-2/h4-11H,1-3H3;4-9H,1-3H3;3*1-2H3
InChIKeyFBVWAFWHVQMHAI-UHFFFAOYSA-N
MW510.81 g/mol
LogP11.30
Rot. Bonds

About 9-tert-butylacridine;4-tert-butylquinoline;ethane

9-tert-butylacridine;4-tert-butylquinoline;ethane (PubChem CID 167564366) has the molecular formula C36H50N2 and a molecular weight of 510.81 g/mol. Its IUPAC name is 9-tert-butylacridine;4-tert-butylquinoline;ethane.

Molecular Properties

Compound Name9-tert-butylacridine;4-tert-butylquinoline;ethane
PubChem CID167564366
Molecular FormulaC36H50N2
Molecular Weight510.81 g/mol
Exact Mass510.40
IUPAC Name9-tert-butylacridine;4-tert-butylquinoline;ethane
SMILESCC.CC.CC.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1ccnc2ccccc12
InChIInChI=1S/C17H17N.C13H15N.3C2H6/c1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;3*1-2/h4-11H,1-3H3;4-9H,1-3H3;3*1-2H3
InChIKeyFBVWAFWHVQMHAI-UHFFFAOYSA-N
XLogP11.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

bis(4-tert-butylquinoline);ethane;methane
CID 158221775
5-tert-butylbenzo[b][1,8]naphthyridine
CID 164810013
4-(2-quinolin-4-yloxypropan-2-yl)quinoline
CID 173219055
ethane;4-methylquinoline
CID 90853056
1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 71255730
9-(tribromomethyl)acridine
CID 18471467
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274
5-[1-(8-tert-butylquinolin-5-yl)-2-methylpropan-2-yl]-8-(2-methyl-2-quinolin-4-ylpropyl)quinoline
CID 138750048
4-chloroquinoline;ethane
CID 91461667
5-tert-butyl-2-ethoxyquinoline
CID 174825204
4-tert-butylquinoline-3-carbaldehyde
CID 105466862
4-tert-butyl-6-methoxyquinoline
CID 58989607

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylacridine;4-tert-butylquinoline;ethane?
The IUPAC name of 9-tert-butylacridine;4-tert-butylquinoline;ethane (CID 167564366) is 9-tert-butylacridine;4-tert-butylquinoline;ethane.
What is the SMILES notation for 9-tert-butylacridine;4-tert-butylquinoline;ethane?
The canonical SMILES for 9-tert-butylacridine;4-tert-butylquinoline;ethane is CC.CC.CC.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1ccnc2ccccc12.
What is the InChIKey of 9-tert-butylacridine;4-tert-butylquinoline;ethane?
The InChIKey is FBVWAFWHVQMHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.C13H15N.3C2H6/c1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;3*1-2/h4-11H,1-3H3;4-9H,1-3H3;3*1-2H3.
What are the key properties of 9-tert-butylacridine;4-tert-butylquinoline;ethane?
9-tert-butylacridine;4-tert-butylquinoline;ethane has a molecular weight of 510.81 g/mol, XLogP of 11.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylacridine;4-tert-butylquinoline;ethane is sourced from PubChem (CID 167564366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).