carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)

C56H40Cl2N4O8Re2 — CID 160560368

IUPACcarbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)
SMILESCc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cl[Re].Cl[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/2C24H20N2.8CO.2ClH.2Re/c2*1-17-9-3-5-11-19(17)21-13-7-15-23(25-21)24-16-8-14-22(26-24)20-12-6-4-10-18(20)2;8*1-2;;;;/h2*3-16H,1-2H3;;;;;;;;;2*1H;;/q;;;;;;;;;;;;2*+1/p-2
InChIKeyQZFNGQSHRJGMBQ-UHFFFAOYSA-L
MW1340.28 g/mol
LogP13.26
Rot. Bonds6

About carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)

carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine) (PubChem CID 160560368) has the molecular formula C56H40Cl2N4O8Re2 and a molecular weight of 1340.28 g/mol. Its IUPAC name is carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine).

Molecular Properties

Compound Namecarbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)
PubChem CID160560368
Molecular FormulaC56H40Cl2N4O8Re2
Molecular Weight1340.28 g/mol
Exact Mass1340.13
IUPAC Namecarbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)
SMILESCc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cl[Re].Cl[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/2C24H20N2.8CO.2ClH.2Re/c2*1-17-9-3-5-11-19(17)21-13-7-15-23(25-21)24-16-8-14-22(26-24)20-12-6-4-10-18(20)2;8*1-2;;;;/h2*3-16H,1-2H3;;;;;;;;;2*1H;;/q;;;;;;;;;;;;2*+1/p-2
InChIKeyQZFNGQSHRJGMBQ-UHFFFAOYSA-L
XLogP13.26
TPSA210.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001340.28
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739
2-(2-bromophenyl)-6-(2-methylphenyl)pyridine
CID 166649575
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
6-(2-methylphenyl)-N-[6-(2-methylphenyl)-2-pyridinyl]pyridin-2-amine
CID 71110099
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844
3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium
CID 20822491
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
2-(2-methylphenyl)pyridine
CID 144596153
4-chloro-2-[6-(2-methylphenyl)-2-pyridinyl]-6-(trifluoromethyl)pyrimidine
CID 15729711
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
N-tert-butyl-N-[6-(2-methylphenyl)-2-pyridinyl]hydroxylamine;carbanide;dichlorotitanium
CID 164748193
9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole
CID 123748491

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)?
The IUPAC name of carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine) (CID 160560368) is carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine).
What is the SMILES notation for carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)?
The canonical SMILES for carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine) is Cc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cc1ccccc1-c1cccc(-c2cccc(-c3ccccc3C)n2)n1.Cl[Re].Cl[Re].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)?
The InChIKey is QZFNGQSHRJGMBQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H20N2.8CO.2ClH.2Re/c2*1-17-9-3-5-11-19(17)21-13-7-15-23(25-21)24-16-8-14-22(26-24)20-12-6-4-10-18(20)2;8*1-2;;;;/h2*3-16H,1-2H3;;;;;;;;;2*1H;;/q;;;;;;;;;;;;2*+1/p-2.
What are the key properties of carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine)?
carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine) has a molecular weight of 1340.28 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chlororhenium;bis(2-(2-methylphenyl)-6-[6-(2-methylphenyl)-2-pyridinyl]pyridine) is sourced from PubChem (CID 160560368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).