[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane

C91H84Al2N4O6 — CID 140587356

IUPAC[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)c(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)c(C)cc21
InChIInChI=1S/C55H62O2.4C9H7NO.2Al/c1-5-7-9-11-13-15-33-55(34-16-14-12-10-8-6-2)53-35-39(3)49(45-21-17-41(18-22-45)43-25-29-47(56)30-26-43)37-51(53)52-38-50(40(4)36-54(52)55)46-23-19-42(20-24-46)44-27-31-48(57)32-28-44;4*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h17-32,35-38,56-57H,5-16,33-34H2,1-4H3;4*1-6,11H;;/q;;;;;2*+3/p-6
InChIKeyGQTPLJYXUSCKSM-UHFFFAOYSA-H
MW1383.66 g/mol
LogP23.98
Rot. Bonds30

About [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane

[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane (PubChem CID 140587356) has the molecular formula C91H84Al2N4O6 and a molecular weight of 1383.66 g/mol. Its IUPAC name is [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
PubChem CID140587356
Molecular FormulaC91H84Al2N4O6
Molecular Weight1383.66 g/mol
Exact Mass1382.60
IUPAC Name[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)c(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)c(C)cc21
InChIInChI=1S/C55H62O2.4C9H7NO.2Al/c1-5-7-9-11-13-15-33-55(34-16-14-12-10-8-6-2)53-35-39(3)49(45-21-17-41(18-22-45)43-25-29-47(56)30-26-43)37-51(53)52-38-50(40(4)36-54(52)55)46-23-19-42(20-24-46)44-27-31-48(57)32-28-44;4*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h17-32,35-38,56-57H,5-16,33-34H2,1-4H3;4*1-6,11H;;/q;;;;;2*+3/p-6
InChIKeyGQTPLJYXUSCKSM-UHFFFAOYSA-H
XLogP23.98
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.66
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
CID 157251634
CID 157251634
(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
5,7-Bis(4-methylphenyl)quinolin-8-ol;5,7-bis[4-(trifluoromethyl)phenyl]quinolin-8-ol;bis(5,7-dinaphthalen-1-ylquinolin-8-ol);bis(dioxotungsten)
CID 161054806
[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
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(8-quinolinolato-kappa^2^N,O)hafnium(IV) dimethylformamide solvate monohydrate
CID 139078843
Tetrakis(5,7-dimethylquinolin-8-olato-kappa^2^N,O)hafnium(IV) dimethylformamide disolvate
CID 139082165
cyclo-Tetrakis{mu-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate
CID 139083911
1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclohexane
CID 139102092

Frequently Asked Questions

What is the IUPAC name of [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane?
The IUPAC name of [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane (CID 140587356) is [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane.
What is the SMILES notation for [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane?
The canonical SMILES for [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane is CCCCCCCCC1(CCCCCCCC)c2cc(C)c(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)cc2-c2cc(-c3ccc(-c4ccc(O[Al](Oc5cccc6cccnc56)Oc5cccc6cccnc56)cc4)cc3)c(C)cc21.
What is the InChIKey of [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane?
The InChIKey is GQTPLJYXUSCKSM-UHFFFAOYSA-H. The full InChI is InChI=1S/C55H62O2.4C9H7NO.2Al/c1-5-7-9-11-13-15-33-55(34-16-14-12-10-8-6-2)53-35-39(3)49(45-21-17-41(18-22-45)43-25-29-47(56)30-26-43)37-51(53)52-38-50(40(4)36-54(52)55)46-23-19-42(20-24-46)44-27-31-48(57)32-28-44;4*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h17-32,35-38,56-57H,5-16,33-34H2,1-4H3;4*1-6,11H;;/q;;;;;2*+3/p-6.
What are the key properties of [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane?
[4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane has a molecular weight of 1383.66 g/mol, XLogP of 23.98, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-[4-[4-di(quinolin-8-yloxy)alumanyloxyphenyl]phenyl]-2,7-dimethyl-9,9-dioctylfluoren-3-yl]phenyl]phenoxy]-di(quinolin-8-yloxy)alumane is sourced from PubChem (CID 140587356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).