(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)

C20H29N2Ru — CID 165040083

IUPAC(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)
SMILESCC1=C2N(c3c(c[c-]c(C)c3C)C(C)(C)C2(C)C)[C@H](C)N1C.[Ru+]
InChIInChI=1S/C20H29N2.Ru/c1-12-10-11-16-17(13(12)2)22-15(4)21(9)14(3)18(22)20(7,8)19(16,5)6;/h11,15H,1-9H3;/q-1;+1/t15-;/m1./s1
InChIKeyHKBBUVZAJNPFLM-XFULWGLBSA-N
MW398.54 g/mol
LogP4.75
Rot. Bonds

About (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)

(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+) (PubChem CID 165040083) has the molecular formula C20H29N2Ru and a molecular weight of 398.54 g/mol. Its IUPAC name is (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+).

Molecular Properties

Compound Name(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)
PubChem CID165040083
Molecular FormulaC20H29N2Ru
Molecular Weight398.54 g/mol
Exact Mass399.14
IUPAC Name(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)
SMILESCC1=C2N(c3c(c[c-]c(C)c3C)C(C)(C)C2(C)C)[C@H](C)N1C.[Ru+]
InChIInChI=1S/C20H29N2.Ru/c1-12-10-11-16-17(13(12)2)22-15(4)21(9)14(3)18(22)20(7,8)19(16,5)6;/h11,15H,1-9H3;/q-1;+1/t15-;/m1./s1
InChIKeyHKBBUVZAJNPFLM-XFULWGLBSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)?
The IUPAC name of (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+) (CID 165040083) is (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+).
What is the SMILES notation for (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)?
The canonical SMILES for (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+) is CC1=C2N(c3c(c[c-]c(C)c3C)C(C)(C)C2(C)C)[C@H](C)N1C.[Ru+].
What is the InChIKey of (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)?
The InChIKey is HKBBUVZAJNPFLM-XFULWGLBSA-N. The full InChI is InChI=1S/C20H29N2.Ru/c1-12-10-11-16-17(13(12)2)22-15(4)21(9)14(3)18(22)20(7,8)19(16,5)6;/h11,15H,1-9H3;/q-1;+1/t15-;/m1./s1.
What are the key properties of (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+)?
(1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+) has a molecular weight of 398.54 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2,3,4,4,5,5,8,9-nonamethyl-1,7-dihydroimidazo[1,5-a]quinolin-7-ide;ruthenium(1+) is sourced from PubChem (CID 165040083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).