tetrakis(benzo[h]quinolin-10-ol);zinc

C52H36N4O4Zn2 — CID 135972964

IUPACtetrakis(benzo[h]quinolin-10-ol);zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.[Zn].[Zn]
InChIInChI=1S/4C13H9NO.2Zn/c4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h4*1-8,15H;;
InChIKeyVLCMGFBBWZTTNN-UHFFFAOYSA-N
MW911.66 g/mol
LogP12.37
Rot. Bonds

About tetrakis(benzo[h]quinolin-10-ol);zinc

tetrakis(benzo[h]quinolin-10-ol);zinc (PubChem CID 135972964) has the molecular formula C52H36N4O4Zn2 and a molecular weight of 911.66 g/mol. Its IUPAC name is tetrakis(benzo[h]quinolin-10-ol);zinc.

Molecular Properties

Compound Nametetrakis(benzo[h]quinolin-10-ol);zinc
PubChem CID135972964
Molecular FormulaC52H36N4O4Zn2
Molecular Weight911.66 g/mol
Exact Mass908.13
IUPAC Nametetrakis(benzo[h]quinolin-10-ol);zinc
SMILESOc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.[Zn].[Zn]
InChIInChI=1S/4C13H9NO.2Zn/c4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h4*1-8,15H;;
InChIKeyVLCMGFBBWZTTNN-UHFFFAOYSA-N
XLogP12.37
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.66
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
5-[[8-Hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol
CID 155807231
1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-ol;1,10-phenanthroline
CID 139056035
3,6-Ditert-butyl-1-isoquinolin-1-ylnaphthalen-2-ol
CID 139150123
1-[2-(4-Methylphenyl)naphthalen-1-yl]-3-(1,10-phenanthrolin-2-yl)naphthalen-2-ol
CID 139185543
2,2'-Dihydroxyl-1,1'-binaphthyl diquinoline
CID 139190542
2,2-Dihydroxyl-1,1'-binaphthyl di-8-methylquinoline
CID 139190544
10-Acridin-9-ylanthracen-9-ol;pyridine
CID 168327449
Dimagnesium;tetrakis(3,6-ditert-butyl-1-isoquinolin-2-ium-1-ylnaphthalen-2-olate);bis(2-methylpentane)
CID 168347145

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzo[h]quinolin-10-ol);zinc?
The IUPAC name of tetrakis(benzo[h]quinolin-10-ol);zinc (CID 135972964) is tetrakis(benzo[h]quinolin-10-ol);zinc.
What is the SMILES notation for tetrakis(benzo[h]quinolin-10-ol);zinc?
The canonical SMILES for tetrakis(benzo[h]quinolin-10-ol);zinc is Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.Oc1cccc2ccc3cccnc3c12.[Zn].[Zn].
What is the InChIKey of tetrakis(benzo[h]quinolin-10-ol);zinc?
The InChIKey is VLCMGFBBWZTTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9NO.2Zn/c4*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;;/h4*1-8,15H;;.
What are the key properties of tetrakis(benzo[h]quinolin-10-ol);zinc?
tetrakis(benzo[h]quinolin-10-ol);zinc has a molecular weight of 911.66 g/mol, XLogP of 12.37, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzo[h]quinolin-10-ol);zinc is sourced from PubChem (CID 135972964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).