bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane

C172H200AlN3O3 — CID 58876444

IUPACbis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane
SMILESCCC(C)CC1(CC(C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(CCCc7ccc(O[Al](Oc8ccc(C)c9cccnc89)Oc8ccc(CCCc9ccc%10c(c9)C(CC(C)CC)(CC(C)CC)c9cc(-c%11ccc%12c(c%11)C(CC(C)CC)(CC(C)CC)c%11cc(-c%13ccc%14c(c%13)C(CC(C)CC)(CC(C)CC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)c9cccnc89)c8ncccc78)ccc5-6)ccc3-4)cc21
InChIInChI=1S/2C81H97NO.C10H9NO.Al/c2*1-13-52(7)46-79(47-53(8)14-2)71-27-20-19-25-65(71)67-35-29-60(42-73(67)79)62-31-37-69-70-38-32-63(45-76(70)81(75(69)44-62,50-56(11)17-5)51-57(12)18-6)61-30-36-68-66-34-28-58(23-21-24-59-33-39-77(83)78-64(59)26-22-40-82-78)41-72(66)80(74(68)43-61,48-54(9)15-3)49-55(10)16-4;1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h2*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;2-6,12H,1H3;/q;;;+3/p-3
InChIKeyYQHQDCYXPYFWSE-UHFFFAOYSA-K
MW2384.49 g/mol
LogP48.01
Rot. Bonds54

About bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane

bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane (PubChem CID 58876444) has the molecular formula C172H200AlN3O3 and a molecular weight of 2384.49 g/mol. Its IUPAC name is bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane.

Molecular Properties

Compound Namebis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane
PubChem CID58876444
Molecular FormulaC172H200AlN3O3
Molecular Weight2384.49 g/mol
Exact Mass2382.54
IUPAC Namebis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane
SMILESCCC(C)CC1(CC(C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(CCCc7ccc(O[Al](Oc8ccc(C)c9cccnc89)Oc8ccc(CCCc9ccc%10c(c9)C(CC(C)CC)(CC(C)CC)c9cc(-c%11ccc%12c(c%11)C(CC(C)CC)(CC(C)CC)c%11cc(-c%13ccc%14c(c%13)C(CC(C)CC)(CC(C)CC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)c9cccnc89)c8ncccc78)ccc5-6)ccc3-4)cc21
InChIInChI=1S/2C81H97NO.C10H9NO.Al/c2*1-13-52(7)46-79(47-53(8)14-2)71-27-20-19-25-65(71)67-35-29-60(42-73(67)79)62-31-37-69-70-38-32-63(45-76(70)81(75(69)44-62,50-56(11)17-5)51-57(12)18-6)61-30-36-68-66-34-28-58(23-21-24-59-33-39-77(83)78-64(59)26-22-40-82-78)41-72(66)80(74(68)43-61,48-54(9)15-3)49-55(10)16-4;1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h2*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;2-6,12H,1H3;/q;;;+3/p-3
InChIKeyYQHQDCYXPYFWSE-UHFFFAOYSA-K
XLogP48.01
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds54
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002384.49
LogP ≤ 548.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane with MolForge

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Related Compounds

5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;dioxotungsten;7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]quinolin-8-ol
CID 160581931
(2E)-2-[(12Z)-2-[3,5-bis(trifluoromethyl)phenyl]-12-[cyano(isocyano)methylidene]-8-(3,5-dimethylphenyl)indeno[1,2-b]fluoren-6-ylidene]-2-isocyanoacetonitrile;tri(quinolin-8-yloxy)alumane
CID 160838698
[4-ethenyl-3,5-bis(trifluoromethyl)phenyl]-(4-ethenyl-3,5-dimethylphenyl)-bis[4-ethenyl-3-methyl-5-(trifluoromethyl)phenyl]boranuide;9-[4-(4-ethenylphenoxy)phenyl]-N,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;tri(quinolin-8-yloxy)alumane
CID 161335915
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(5,7-dimethylquinolin-8-olato-kappa^2^N,O)hafnium(IV) dimethylformamide disolvate
CID 139082165
2,2,7-Triphenyl-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
CID 139089996
Bis(5,7-dimethylquinolin-8-olate);methanolate;oxygen(2-);vanadium
CID 168343250
28,34-Ditert-butyl-31-chloro-26,36-bis(2,4,6-trimethylphenyl)-30,32-dioxa-23,40-diaza-31-aluminanonacyclo[31.6.2.222,25.02,11.05,10.012,21.013,18.024,29.037,41]tritetraconta-1(40),2(11),3,5,7,9,12(21),13,15,17,19,22,24,26,28,33,35,37(41),38,42-icosaene
CID 176421507
CID 20599405
CID 20599405
CID 20606810
CID 20606810
CID 20606811
CID 20606811

Frequently Asked Questions

What is the IUPAC name of bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane?
The IUPAC name of bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane (CID 58876444) is bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane.
What is the SMILES notation for bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane?
The canonical SMILES for bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane is CCC(C)CC1(CC(C)CC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CC(C)CC)(CC(C)CC)c3cc(-c5ccc6c(c5)C(CC(C)CC)(CC(C)CC)c5cc(CCCc7ccc(O[Al](Oc8ccc(C)c9cccnc89)Oc8ccc(CCCc9ccc%10c(c9)C(CC(C)CC)(CC(C)CC)c9cc(-c%11ccc%12c(c%11)C(CC(C)CC)(CC(C)CC)c%11cc(-c%13ccc%14c(c%13)C(CC(C)CC)(CC(C)CC)c%13ccccc%13-%14)ccc%11-%12)ccc9-%10)c9cccnc89)c8ncccc78)ccc5-6)ccc3-4)cc21.
What is the InChIKey of bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane?
The InChIKey is YQHQDCYXPYFWSE-UHFFFAOYSA-K. The full InChI is InChI=1S/2C81H97NO.C10H9NO.Al/c2*1-13-52(7)46-79(47-53(8)14-2)71-27-20-19-25-65(71)67-35-29-60(42-73(67)79)62-31-37-69-70-38-32-63(45-76(70)81(75(69)44-62,50-56(11)17-5)51-57(12)18-6)61-30-36-68-66-34-28-58(23-21-24-59-33-39-77(83)78-64(59)26-22-40-82-78)41-72(66)80(74(68)43-61,48-54(9)15-3)49-55(10)16-4;1-7-4-5-9(12)10-8(7)3-2-6-11-10;/h2*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;2-6,12H,1H3;/q;;;+3/p-3.
What are the key properties of bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane?
bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane has a molecular weight of 2384.49 g/mol, XLogP of 48.01, 54 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[5-[3-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]propyl]quinolin-8-yl]oxy]-(5-methylquinolin-8-yl)oxyalumane is sourced from PubChem (CID 58876444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).