bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium

C36H52Cl3N8Ru — CID 11061769

IUPACbis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium
SMILESCCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.Cl[Ru](Cl)Cl
InChIInChI=1S/2C18H26N4.3ClH.Ru/c2*1-5-21(6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)22(7-3)8-4;;;;/h2*9-14H,5-8H2,1-4H3;3*1H;/q;;;;;+3/p-3
InChIKeyJZQIXJVQTLBWMR-UHFFFAOYSA-K
MW804.30 g/mol
LogP9.74
Rot. Bonds14

About bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium

bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium (PubChem CID 11061769) has the molecular formula C36H52Cl3N8Ru and a molecular weight of 804.30 g/mol. Its IUPAC name is bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium.

Molecular Properties

Compound Namebis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium
PubChem CID11061769
Molecular FormulaC36H52Cl3N8Ru
Molecular Weight804.30 g/mol
Exact Mass803.24
IUPAC Namebis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium
SMILESCCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.Cl[Ru](Cl)Cl
InChIInChI=1S/2C18H26N4.3ClH.Ru/c2*1-5-21(6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)22(7-3)8-4;;;;/h2*9-14H,5-8H2,1-4H3;3*1H;/q;;;;;+3/p-3
InChIKeyJZQIXJVQTLBWMR-UHFFFAOYSA-K
XLogP9.74
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.30
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium?
The IUPAC name of bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium (CID 11061769) is bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium.
What is the SMILES notation for bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium?
The canonical SMILES for bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium is CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.CCN(CC)c1ccnc(-c2cc(N(CC)CC)ccn2)c1.Cl[Ru](Cl)Cl.
What is the InChIKey of bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium?
The InChIKey is JZQIXJVQTLBWMR-UHFFFAOYSA-K. The full InChI is InChI=1S/2C18H26N4.3ClH.Ru/c2*1-5-21(6-2)15-9-11-19-17(13-15)18-14-16(10-12-20-18)22(7-3)8-4;;;;/h2*9-14H,5-8H2,1-4H3;3*1H;/q;;;;;+3/p-3.
What are the key properties of bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium?
bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium has a molecular weight of 804.30 g/mol, XLogP of 9.74, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[4-(diethylamino)-2-pyridinyl]-N,N-diethylpyridin-4-amine);trichlororuthenium is sourced from PubChem (CID 11061769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).