10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine

C37H42N4O — CID 140893471

IUPAC10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine
SMILESCCC1(CC)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cccc(N4CN(C)C=C4C)c3)ccc21
InChIInChI=1S/C37H42N4O/c1-8-37(9-2)31-15-10-11-16-33(31)41(35-21-27(19-20-38-35)36(4,5)6)34-23-30(17-18-32(34)37)42-29-14-12-13-28(22-29)40-25-39(7)24-26(40)3/h10-24H,8-9,25H2,1-7H3
InChIKeyYPEFZCSALFXISY-UHFFFAOYSA-N
MW558.77 g/mol
LogP9.63
Rot. Bonds6

About 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine

10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine (PubChem CID 140893471) has the molecular formula C37H42N4O and a molecular weight of 558.77 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine.

Molecular Properties

Compound Name10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine
PubChem CID140893471
Molecular FormulaC37H42N4O
Molecular Weight558.77 g/mol
Exact Mass558.34
IUPAC Name10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine
SMILESCCC1(CC)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cccc(N4CN(C)C=C4C)c3)ccc21
InChIInChI=1S/C37H42N4O/c1-8-37(9-2)31-15-10-11-16-33(31)41(35-21-27(19-20-38-35)36(4,5)6)34-23-30(17-18-32(34)37)42-29-14-12-13-28(22-29)40-25-39(7)24-26(40)3/h10-24H,8-9,25H2,1-7H3
InChIKeyYPEFZCSALFXISY-UHFFFAOYSA-N
XLogP9.63
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782441
3-[[14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl]oxy]aniline
CID 176783530
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
CID 168840770
[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
11-[3-[3-(1-bicyclo[2.2.2]octanyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176783258
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzotellurazine
CID 168840760
11-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169294245
10-(4-tert-butyl-2-pyridinyl)-3-[3-[4,6-ditert-butyl-3-(2,4-dimethylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9,9-dimethylacridine
CID 176782437
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[10'-(4-tert-butyl-2-pyridinyl)-3,6,10-triphenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796934
11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782987
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine?
The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine (CID 140893471) is 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine.
What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine?
The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine is CCC1(CC)c2ccccc2N(c2cc(C(C)(C)C)ccn2)c2cc(Oc3cccc(N4CN(C)C=C4C)c3)ccc21.
What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine?
The InChIKey is YPEFZCSALFXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O/c1-8-37(9-2)31-15-10-11-16-33(31)41(35-21-27(19-20-38-35)36(4,5)6)34-23-30(17-18-32(34)37)42-29-14-12-13-28(22-29)40-25-39(7)24-26(40)3/h10-24H,8-9,25H2,1-7H3.
What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine?
10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine has a molecular weight of 558.77 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2-pyridinyl)-3-[3-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine is sourced from PubChem (CID 140893471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).