2,7,10-tritert-butyl-9H-acridine

C25H35N — CID 143619997

IUPAC2,7,10-tritert-butyl-9H-acridine
SMILESCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C(C)(C)C
InChIInChI=1S/C25H35N/c1-23(2,3)19-10-12-21-17(15-19)14-18-16-20(24(4,5)6)11-13-22(18)26(21)25(7,8)9/h10-13,15-16H,14H2,1-9H3
InChIKeyHTOXWIYYDFGUJO-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.12
Rot. Bonds

About 2,7,10-tritert-butyl-9H-acridine

2,7,10-tritert-butyl-9H-acridine (PubChem CID 143619997) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 2,7,10-tritert-butyl-9H-acridine.

Molecular Properties

Compound Name2,7,10-tritert-butyl-9H-acridine
PubChem CID143619997
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name2,7,10-tritert-butyl-9H-acridine
SMILESCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C(C)(C)C
InChIInChI=1S/C25H35N/c1-23(2,3)19-10-12-21-17(15-19)14-18-16-20(24(4,5)6)11-13-22(18)26(21)25(7,8)9/h10-13,15-16H,14H2,1-9H3
InChIKeyHTOXWIYYDFGUJO-UHFFFAOYSA-N
XLogP7.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-10-methyl-7-(2-methylbutan-2-yl)-9H-acridine
CID 143642288
2-tert-butyl-10-(4-iodophenyl)-9H-acridine
CID 134425823
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
1,5-ditert-butylindole-2,3-dione
CID 20577153
2-tert-butyl-9H-xanthene
CID 20815655
3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine
CID 70861911
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
5-tert-butyl-2-methylidene-3H-1-benzothiophene
CID 158663471
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
CID 87824712
7-tert-butyl-4,5-dihydroimidazo[1,2-a]quinoline
CID 58110676
5-tert-butyl-2-methyl-1H-indene
CID 18314754

Frequently Asked Questions

What is the IUPAC name of 2,7,10-tritert-butyl-9H-acridine?
The IUPAC name of 2,7,10-tritert-butyl-9H-acridine (CID 143619997) is 2,7,10-tritert-butyl-9H-acridine.
What is the SMILES notation for 2,7,10-tritert-butyl-9H-acridine?
The canonical SMILES for 2,7,10-tritert-butyl-9H-acridine is CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)ccc1N2C(C)(C)C.
What is the InChIKey of 2,7,10-tritert-butyl-9H-acridine?
The InChIKey is HTOXWIYYDFGUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-23(2,3)19-10-12-21-17(15-19)14-18-16-20(24(4,5)6)11-13-22(18)26(21)25(7,8)9/h10-13,15-16H,14H2,1-9H3.
What are the key properties of 2,7,10-tritert-butyl-9H-acridine?
2,7,10-tritert-butyl-9H-acridine has a molecular weight of 349.56 g/mol, XLogP of 7.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,10-tritert-butyl-9H-acridine is sourced from PubChem (CID 143619997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).