tri(quinolin-8-yl)indigane

C27H18InN3 — CID 87786508

IUPACtri(quinolin-8-yl)indigane
SMILESc1cnc2c([In](c3cccc4cccnc34)c3cccc4cccnc34)cccc2c1
InChIInChI=1S/3C9H6N.In/c3*1-2-6-9-8(4-1)5-3-7-10-9;/h3*1-5,7H;
InChIKeyMNPCRWADXQWDEU-UHFFFAOYSA-N
MW499.28 g/mol
LogP3.85
Rot. Bonds3

About tri(quinolin-8-yl)indigane

tri(quinolin-8-yl)indigane (PubChem CID 87786508) has the molecular formula C27H18InN3 and a molecular weight of 499.28 g/mol. Its IUPAC name is tri(quinolin-8-yl)indigane.

Molecular Properties

Compound Nametri(quinolin-8-yl)indigane
PubChem CID87786508
Molecular FormulaC27H18InN3
Molecular Weight499.28 g/mol
Exact Mass499.05
IUPAC Nametri(quinolin-8-yl)indigane
SMILESc1cnc2c([In](c3cccc4cccnc34)c3cccc4cccnc34)cccc2c1
InChIInChI=1S/3C9H6N.In/c3*1-2-6-9-8(4-1)5-3-7-10-9;/h3*1-5,7H;
InChIKeyMNPCRWADXQWDEU-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
CID 54604144
CID 54604144
quinoline-8-selenol
CID 101467585
quinolin-8-ol;yttrium
CID 174635627
zinc bis(quinolin-8-olate)
CID 162394451
zinc quinolin-8-ol
CID 22057723

Frequently Asked Questions

What is the IUPAC name of tri(quinolin-8-yl)indigane?
The IUPAC name of tri(quinolin-8-yl)indigane (CID 87786508) is tri(quinolin-8-yl)indigane.
What is the SMILES notation for tri(quinolin-8-yl)indigane?
The canonical SMILES for tri(quinolin-8-yl)indigane is c1cnc2c([In](c3cccc4cccnc34)c3cccc4cccnc34)cccc2c1.
What is the InChIKey of tri(quinolin-8-yl)indigane?
The InChIKey is MNPCRWADXQWDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H6N.In/c3*1-2-6-9-8(4-1)5-3-7-10-9;/h3*1-5,7H;.
What are the key properties of tri(quinolin-8-yl)indigane?
tri(quinolin-8-yl)indigane has a molecular weight of 499.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(quinolin-8-yl)indigane is sourced from PubChem (CID 87786508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).