9,9-dibutyl-10H-acridine

C21H27N — CID 22754314

IUPAC9,9-dibutyl-10H-acridine
SMILESCCCCC1(CCCC)c2ccccc2Nc2ccccc21
InChIInChI=1S/C21H27N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7-14,22H,3-6,15-16H2,1-2H3
InChIKeyOFHBBDRLHHETNR-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.41
Rot. Bonds6

About 9,9-dibutyl-10H-acridine

9,9-dibutyl-10H-acridine (PubChem CID 22754314) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 9,9-dibutyl-10H-acridine.

Molecular Properties

Compound Name9,9-dibutyl-10H-acridine
PubChem CID22754314
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name9,9-dibutyl-10H-acridine
SMILESCCCCC1(CCCC)c2ccccc2Nc2ccccc21
InChIInChI=1S/C21H27N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7-14,22H,3-6,15-16H2,1-2H3
InChIKeyOFHBBDRLHHETNR-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline
CID 155459617
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
3-butyl-3-pentyl-1H-indol-2-one;1-methyl-4-propoxybenzene
CID 168997238
9-ethyl-9-methyl-10H-acridine
CID 22754271
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
4,4-dipentyl-1H-3,1-benzoxazin-2-one
CID 70402861
4,4-dihexylindeno[1,2-b]thiophene
CID 58202963
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
9,9'-spirobi[10H-acridine]
CID 11210173

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-10H-acridine?
The IUPAC name of 9,9-dibutyl-10H-acridine (CID 22754314) is 9,9-dibutyl-10H-acridine.
What is the SMILES notation for 9,9-dibutyl-10H-acridine?
The canonical SMILES for 9,9-dibutyl-10H-acridine is CCCCC1(CCCC)c2ccccc2Nc2ccccc21.
What is the InChIKey of 9,9-dibutyl-10H-acridine?
The InChIKey is OFHBBDRLHHETNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-5-15-21(16-6-4-2)17-11-7-9-13-19(17)22-20-14-10-8-12-18(20)21/h7-14,22H,3-6,15-16H2,1-2H3.
What are the key properties of 9,9-dibutyl-10H-acridine?
9,9-dibutyl-10H-acridine has a molecular weight of 293.45 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-10H-acridine is sourced from PubChem (CID 22754314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).