tris[[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]alumane

C243H288AlN3O3 — CID 58876414

IUPACtris[[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]alumane
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(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)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/3C81H97NO.Al/c3*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;/h3*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;/q;;;+3/p-3
InChIKeyFMXYNRIOQGYEPJ-UHFFFAOYSA-K
MW3325.98 g/mol
LogP68.63
Rot. Bonds78

About tris[[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]alumane

tris[[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]alumane (PubChem CID 58876414) has the molecular formula C243H288AlN3O3 and a molecular weight of 3325.98 g/mol. Its IUPAC name is tris[[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]alumane.

Molecular Properties

Compound Nametris[[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]alumane
PubChem CID58876414
Molecular FormulaC243H288AlN3O3
Molecular Weight3325.98 g/mol
Exact Mass3323.23
IUPAC Nametris[[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]alumane
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(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)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/3C81H97NO.Al/c3*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;/h3*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;/q;;;+3/p-3
InChIKeyFMXYNRIOQGYEPJ-UHFFFAOYSA-K
XLogP68.63
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds78
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003325.98
LogP ≤ 568.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tris[[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]alumane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris[[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]alumane?
The IUPAC name of tris[[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]alumane (CID 58876414) is tris[[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]alumane.
What is the SMILES notation for tris[[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]alumane?
The canonical SMILES for tris[[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]alumane 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(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)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 tris[[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]alumane?
The InChIKey is FMXYNRIOQGYEPJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C81H97NO.Al/c3*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;/h3*19-20,22,25-45,52-57,83H,13-18,21,23-24,46-51H2,1-12H3;/q;;;+3/p-3.
What are the key properties of tris[[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]alumane?
tris[[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]alumane has a molecular weight of 3325.98 g/mol, XLogP of 68.63, 78 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[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]alumane is sourced from PubChem (CID 58876414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).