2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium

C54H42N10O2Ru2-2 — CID 58133348

IUPAC2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILES[O-]c1cc(C2=NC=CC2)c([O-])cc1C1=NC=CC1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H12N2O2.4C10H8N2.2Ru/c17-13-8-10(12-4-2-6-16-12)14(18)7-9(13)11-3-1-5-15-11;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-2,5-8,17-18H,3-4H2;4*1-8H;;/p-2
InChIKeyRQEQNOPVSXVAKI-UHFFFAOYSA-L
MW1065.14 g/mol
LogP9.82
Rot. Bonds6

About 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium

2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 58133348) has the molecular formula C54H42N10O2Ru2-2 and a molecular weight of 1065.14 g/mol. Its IUPAC name is 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Name2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID58133348
Molecular FormulaC54H42N10O2Ru2-2
Molecular Weight1065.14 g/mol
Exact Mass1066.16
IUPAC Name2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILES[O-]c1cc(C2=NC=CC2)c([O-])cc1C1=NC=CC1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H12N2O2.4C10H8N2.2Ru/c17-13-8-10(12-4-2-6-16-12)14(18)7-9(13)11-3-1-5-15-11;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-2,5-8,17-18H,3-4H2;4*1-8H;;/p-2
InChIKeyRQEQNOPVSXVAKI-UHFFFAOYSA-L
XLogP9.82
TPSA173.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.14
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium (CID 58133348) is 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium is [O-]c1cc(C2=NC=CC2)c([O-])cc1C1=NC=CC1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is RQEQNOPVSXVAKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2O2.4C10H8N2.2Ru/c17-13-8-10(12-4-2-6-16-12)14(18)7-9(13)11-3-1-5-15-11;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-2,5-8,17-18H,3-4H2;4*1-8H;;/p-2.
What are the key properties of 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1065.14 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3H-pyrrol-2-yl)benzene-1,4-diolate;tetrakis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 58133348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).