10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine

C59H64N4O — CID 176783350

IUPAC10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)c(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)c3ccccc3C4(C)C)cc2N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1
InChIInChI=1S/C59H64N4O/c1-36-27-38(3)55(39(4)28-36)44-33-47(58(10,11)12)53(34-51(44)61-35-62(50-22-18-17-21-49(50)61)56-40(5)29-37(2)30-41(56)6)64-43-23-24-46-52(32-43)63(48-20-16-15-19-45(48)59(46,13)14)54-31-42(25-26-60-54)57(7,8)9/h15-34H,35H2,1-14H3
InChIKeyRYJZONHPBCUXHN-UHFFFAOYSA-N
MW845.19 g/mol
LogP16.34
Rot. Bonds6

About 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine

10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine (PubChem CID 176783350) has the molecular formula C59H64N4O and a molecular weight of 845.19 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine
PubChem CID176783350
Molecular FormulaC59H64N4O
Molecular Weight845.19 g/mol
Exact Mass844.51
IUPAC Name10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)c(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)c3ccccc3C4(C)C)cc2N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1
InChIInChI=1S/C59H64N4O/c1-36-27-38(3)55(39(4)28-36)44-33-47(58(10,11)12)53(34-51(44)61-35-62(50-22-18-17-21-49(50)61)56-40(5)29-37(2)30-41(56)6)64-43-23-24-46-52(32-43)63(48-20-16-15-19-45(48)59(46,13)14)54-31-42(25-26-60-54)57(7,8)9/h15-34H,35H2,1-14H3
InChIKeyRYJZONHPBCUXHN-UHFFFAOYSA-N
XLogP16.34
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.19
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine with MolForge

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Related Compounds

(3aS,11bR)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-methylphenyl]-5,6,7,8,9,10-hexamethyl-3-(2,3,4,5,6-pentamethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole
CID 170935223
(3aS,11bR)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-5,7,8-trimethyl-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole
CID 170933498
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
11-(5-bromo-2,4-ditert-butylphenoxy)-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 176784077
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]dibenzothiophen-2-yl]oxycarbazole
CID 176782135
(4R)-4-tert-butyl-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-propan-2-ylphenyl]-4-methyl-5H-1,3-oxazole
CID 170934988
(3aR,8bS)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-propan-2-ylphenyl]-4,4-dideuterio-3a,5,6,8b-tetramethylindeno[2,1-d][1,3]oxazole
CID 170935186
(2R,6S)-4-[2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-4-pyridinyl]-2,6,9,10-tetramethyl-5-oxa-3,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),3,8,10-tetraene
CID 170934286
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-(3,5-dimethyl-2H-imidazol-1-yl)phenoxy]-9,9-diethylacridine
CID 140893471
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
(3aR,8bS)-8b-tert-butyl-2-[3-[10-(4-tert-butyl-2-pyridinyl)-2,7,9,9-tetramethylacridin-3-yl]oxy-5-(2,4,6-trimethylphenyl)phenyl]-4,4-dideuterio-3a,6,7-trimethylindeno[2,1-d][1,3]oxazole
CID 170932639

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine?
The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine (CID 176783350) is 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine.
What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine?
The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine is Cc1cc(C)c(-c2cc(C(C)(C)C)c(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)c3ccccc3C4(C)C)cc2N2CN(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.
What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine?
The InChIKey is RYJZONHPBCUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H64N4O/c1-36-27-38(3)55(39(4)28-36)44-33-47(58(10,11)12)53(34-51(44)61-35-62(50-22-18-17-21-49(50)61)56-40(5)29-37(2)30-41(56)6)64-43-23-24-46-52(32-43)63(48-20-16-15-19-45(48)59(46,13)14)54-31-42(25-26-60-54)57(7,8)9/h15-34H,35H2,1-14H3.
What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine?
10-(4-tert-butyl-2-pyridinyl)-3-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine has a molecular weight of 845.19 g/mol, XLogP of 16.34, 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-[2-tert-butyl-4-(2,4,6-trimethylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9,9-dimethylacridine is sourced from PubChem (CID 176783350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).