bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium

C75H66Br2Cl2N12Ru2 — CID 157394499

IUPACbis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.C.C.C.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H11BrN2.4C10H8N2.3CH4.2ClH.2Ru/c2*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h2*1-11H;4*1-8H;3*1H4;2*1H;;/q;;;;;;;;;;;;+2/p-2
InChIKeyBMKGMRMCHGULTJ-UHFFFAOYSA-L
MW1568.29 g/mol
LogP21.00
Rot. Bonds8

About bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium

bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 157394499) has the molecular formula C75H66Br2Cl2N12Ru2 and a molecular weight of 1568.29 g/mol. Its IUPAC name is bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Namebis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID157394499
Molecular FormulaC75H66Br2Cl2N12Ru2
Molecular Weight1568.29 g/mol
Exact Mass1566.14
IUPAC Namebis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium
SMILESBrc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.C.C.C.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C16H11BrN2.4C10H8N2.3CH4.2ClH.2Ru/c2*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h2*1-11H;4*1-8H;3*1H4;2*1H;;/q;;;;;;;;;;;;+2/p-2
InChIKeyBMKGMRMCHGULTJ-UHFFFAOYSA-L
XLogP21.00
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001568.29
LogP ≤ 521.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium (CID 157394499) is bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium is Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1.C.C.C.Cl[Ru]Cl.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is BMKGMRMCHGULTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H11BrN2.4C10H8N2.3CH4.2ClH.2Ru/c2*17-14-6-4-12(5-7-14)13-8-10-19-16(11-13)15-3-1-2-9-18-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;/h2*1-11H;4*1-8H;3*1H4;2*1H;;/q;;;;;;;;;;;;+2/p-2.
What are the key properties of bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium?
bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1568.29 g/mol, XLogP of 21.00, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-bromophenyl)-2-pyridin-2-ylpyridine);dichlororuthenium;methane;tetrakis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 157394499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).