N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine

C60H73AlN4O3 — CID 21051683

IUPACN-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine
SMILESC=CC1CC(C=C=CC2CC(C=C)C(CCCCCCCCC)C2)C(CCCCCCNCc2ccc(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)c3ncccc23)C1
InChIInChI=1S/C42H62N2O.2C9H7NO.Al/c1-4-7-8-9-10-11-14-20-36-31-34(30-35(36)6-3)19-17-22-38-29-33(5-2)28-37(38)21-15-12-13-16-26-43-32-39-24-25-41(45)42-40(39)23-18-27-44-42;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,18-19,22-25,27,33-38,43,45H,2-4,7-16,20-21,26,28-32H2,1H3;2*1-6,11H;/q;;;+3/p-3
InChIKeyGRJYXUMBUBYWKU-UHFFFAOYSA-K
MW925.25 g/mol
LogP15.40
Rot. Bonds27

About N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine

N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine (PubChem CID 21051683) has the molecular formula C60H73AlN4O3 and a molecular weight of 925.25 g/mol. Its IUPAC name is N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine
PubChem CID21051683
Molecular FormulaC60H73AlN4O3
Molecular Weight925.25 g/mol
Exact Mass924.55
IUPAC NameN-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine
SMILESC=CC1CC(C=C=CC2CC(C=C)C(CCCCCCCCC)C2)C(CCCCCCNCc2ccc(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)c3ncccc23)C1
InChIInChI=1S/C42H62N2O.2C9H7NO.Al/c1-4-7-8-9-10-11-14-20-36-31-34(30-35(36)6-3)19-17-22-38-29-33(5-2)28-37(38)21-15-12-13-16-26-43-32-39-24-25-41(45)42-40(39)23-18-27-44-42;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,18-19,22-25,27,33-38,43,45H,2-4,7-16,20-21,26,28-32H2,1H3;2*1-6,11H;/q;;;+3/p-3
InChIKeyGRJYXUMBUBYWKU-UHFFFAOYSA-K
XLogP15.40
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.25
LogP ≤ 515.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine with MolForge

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Related Compounds

tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173
(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
CID 16684839
CID 16684839
5-[[[3-[(8-Hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol
CID 122231612
Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
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
Indium(3+);tris(quinolin-8-olate)
CID 6711602
CID 18335892
CID 18335892
CID 20599405
CID 20599405

Frequently Asked Questions

What is the IUPAC name of N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine?
The IUPAC name of N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine (CID 21051683) is N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine.
What is the SMILES notation for N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine?
The canonical SMILES for N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine is C=CC1CC(C=C=CC2CC(C=C)C(CCCCCCCCC)C2)C(CCCCCCNCc2ccc(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)c3ncccc23)C1.
What is the InChIKey of N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine?
The InChIKey is GRJYXUMBUBYWKU-UHFFFAOYSA-K. The full InChI is InChI=1S/C42H62N2O.2C9H7NO.Al/c1-4-7-8-9-10-11-14-20-36-31-34(30-35(36)6-3)19-17-22-38-29-33(5-2)28-37(38)21-15-12-13-16-26-43-32-39-24-25-41(45)42-40(39)23-18-27-44-42;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h5-6,18-19,22-25,27,33-38,43,45H,2-4,7-16,20-21,26,28-32H2,1H3;2*1-6,11H;/q;;;+3/p-3.
What are the key properties of N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine?
N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine has a molecular weight of 925.25 g/mol, XLogP of 15.40, 27 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl]methyl]-6-[4-ethenyl-2-[3-(3-ethenyl-4-nonylcyclopentyl)propa-1,2-dienyl]cyclopentyl]hexan-1-amine is sourced from PubChem (CID 21051683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).