[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane

C63H46AlN3O3 — CID 140706694

IUPAC[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane
SMILESCC(c1ccccc1)c1ccc2ccccc2c1-c1ccnc2c(O[Al](Oc3cccc4cccnc34)Oc3ccc(-c4c(C(C)c5ccccc5)ccc5ccccc45)c4cccnc34)cccc12
InChIInChI=1S/2C27H21NO.C9H7NO.Al/c1-18(19-8-3-2-4-9-19)21-14-13-20-10-5-6-11-22(20)26(21)23-15-16-25(29)27-24(23)12-7-17-28-27;1-18(19-8-3-2-4-9-19)21-15-14-20-10-5-6-11-22(20)26(21)23-16-17-28-27-24(23)12-7-13-25(27)29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-18,29H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeyQUJBITIVKZHUKP-UHFFFAOYSA-K
MW920.06 g/mol
LogP15.80
Rot. Bonds12

About [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane

[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane (PubChem CID 140706694) has the molecular formula C63H46AlN3O3 and a molecular weight of 920.06 g/mol. Its IUPAC name is [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane.

Molecular Properties

Compound Name[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane
PubChem CID140706694
Molecular FormulaC63H46AlN3O3
Molecular Weight920.06 g/mol
Exact Mass919.34
IUPAC Name[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane
SMILESCC(c1ccccc1)c1ccc2ccccc2c1-c1ccnc2c(O[Al](Oc3cccc4cccnc34)Oc3ccc(-c4c(C(C)c5ccccc5)ccc5ccccc45)c4cccnc34)cccc12
InChIInChI=1S/2C27H21NO.C9H7NO.Al/c1-18(19-8-3-2-4-9-19)21-14-13-20-10-5-6-11-22(20)26(21)23-15-16-25(29)27-24(23)12-7-17-28-27;1-18(19-8-3-2-4-9-19)21-15-14-20-10-5-6-11-22(20)26(21)23-16-17-28-27-24(23)12-7-13-25(27)29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-18,29H,1H3;1-6,11H;/q;;;+3/p-3
InChIKeyQUJBITIVKZHUKP-UHFFFAOYSA-K
XLogP15.80
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.06
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane with MolForge

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Related Compounds

Cunilate
CID 56840841
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)
CID 139173409
CID 168338853
CID 168338853
Tris(8-hydroxyquinoline)al
CID 16716339
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Aluminum tris(4-methyl-5-(trifluoromethyl)quinolin-8-olate)
CID 23079065
12-[4-[4-(Trifluoromethyl)phenyl]phenoxy]-11,13-dioxa-4,21-diaza-12-aluminapentacyclo[12.6.2.23,6.05,10.018,22]tetracosa-1(21),3,5,7,9,14,16,18(22),19,23-decaene
CID 57831693
[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane?
The IUPAC name of [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane (CID 140706694) is [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane.
What is the SMILES notation for [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane?
The canonical SMILES for [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane is CC(c1ccccc1)c1ccc2ccccc2c1-c1ccnc2c(O[Al](Oc3cccc4cccnc34)Oc3ccc(-c4c(C(C)c5ccccc5)ccc5ccccc45)c4cccnc34)cccc12.
What is the InChIKey of [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane?
The InChIKey is QUJBITIVKZHUKP-UHFFFAOYSA-K. The full InChI is InChI=1S/2C27H21NO.C9H7NO.Al/c1-18(19-8-3-2-4-9-19)21-14-13-20-10-5-6-11-22(20)26(21)23-15-16-25(29)27-24(23)12-7-17-28-27;1-18(19-8-3-2-4-9-19)21-15-14-20-10-5-6-11-22(20)26(21)23-16-17-28-27-24(23)12-7-13-25(27)29;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*2-18,29H,1H3;1-6,11H;/q;;;+3/p-3.
What are the key properties of [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane?
[4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane has a molecular weight of 920.06 g/mol, XLogP of 15.80, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-[5-[2-(1-phenylethyl)naphthalen-1-yl]quinolin-8-yl]oxy-quinolin-8-yloxyalumane is sourced from PubChem (CID 140706694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).