tri(phenanthridin-4-yloxy)alumane

C39H24AlN3O3 — CID 24943485

IUPACtri(phenanthridin-4-yloxy)alumane
SMILESc1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12
InChIInChI=1S/3C13H9NO.Al/c3*15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3
InChIKeyZVSAXDNXNHKCTP-UHFFFAOYSA-K
MW609.62 g/mol
LogP9.31
Rot. Bonds6

About tri(phenanthridin-4-yloxy)alumane

tri(phenanthridin-4-yloxy)alumane (PubChem CID 24943485) has the molecular formula C39H24AlN3O3 and a molecular weight of 609.62 g/mol. Its IUPAC name is tri(phenanthridin-4-yloxy)alumane.

Molecular Properties

Compound Nametri(phenanthridin-4-yloxy)alumane
PubChem CID24943485
Molecular FormulaC39H24AlN3O3
Molecular Weight609.62 g/mol
Exact Mass609.16
IUPAC Nametri(phenanthridin-4-yloxy)alumane
SMILESc1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12
InChIInChI=1S/3C13H9NO.Al/c3*15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3
InChIKeyZVSAXDNXNHKCTP-UHFFFAOYSA-K
XLogP9.31
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tri(quinolin-8-yloxy)alumane
CID 16683111
4-methylsulfanylphenanthridine
CID 56651512
phenanthridine
CID 9189
(2,6-dimethylphenoxy)-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 140659197
[4-(2-methylphenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58965815
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;tri(quinolin-8-yloxy)alumane
CID 160962485
phenanthridine;platinum(2+)
CID 23616726
2-phenanthridin-4-yl-1,2-diphenylethanone
CID 102585096
2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine
CID 147566258
CID 160644085
CID 160644085
bis(2-isoquinolin-3-ylphenoxy)-naphthalen-2-yloxyalumane
CID 58895505
bis[(2-methylquinolin-8-yl)oxy]-[4-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]oxyalumane
CID 58251644

Frequently Asked Questions

What is the IUPAC name of tri(phenanthridin-4-yloxy)alumane?
The IUPAC name of tri(phenanthridin-4-yloxy)alumane (CID 24943485) is tri(phenanthridin-4-yloxy)alumane.
What is the SMILES notation for tri(phenanthridin-4-yloxy)alumane?
The canonical SMILES for tri(phenanthridin-4-yloxy)alumane is c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.
What is the InChIKey of tri(phenanthridin-4-yloxy)alumane?
The InChIKey is ZVSAXDNXNHKCTP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C13H9NO.Al/c3*15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;/h3*1-8,15H;/q;;;+3/p-3.
What are the key properties of tri(phenanthridin-4-yloxy)alumane?
tri(phenanthridin-4-yloxy)alumane has a molecular weight of 609.62 g/mol, XLogP of 9.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tri(phenanthridin-4-yloxy)alumane is sourced from PubChem (CID 24943485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).