2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium

C24H17N3Ru — CID 159648307

IUPAC2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium
SMILESN#CC(c1cccnc1-c1ccccc1)c1cccnc1-c1ccccc1.[Ru]
InChIInChI=1S/C24H17N3.Ru/c25-17-22(20-13-7-15-26-23(20)18-9-3-1-4-10-18)21-14-8-16-27-24(21)19-11-5-2-6-12-19;/h1-16,22H;
InChIKeyMRFTYGPHRNVSEU-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.46
Rot. Bonds4

About 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium

2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium (PubChem CID 159648307) has the molecular formula C24H17N3Ru and a molecular weight of 448.49 g/mol. Its IUPAC name is 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium.

Molecular Properties

Compound Name2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium
PubChem CID159648307
Molecular FormulaC24H17N3Ru
Molecular Weight448.49 g/mol
Exact Mass449.05
IUPAC Name2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium
SMILESN#CC(c1cccnc1-c1ccccc1)c1cccnc1-c1ccccc1.[Ru]
InChIInChI=1S/C24H17N3.Ru/c25-17-22(20-13-7-15-26-23(20)18-9-3-1-4-10-18)21-14-8-16-27-24(21)19-11-5-2-6-12-19;/h1-16,22H;
InChIKeyMRFTYGPHRNVSEU-UHFFFAOYSA-N
XLogP5.46
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium?
The IUPAC name of 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium (CID 159648307) is 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium.
What is the SMILES notation for 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium?
The canonical SMILES for 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium is N#CC(c1cccnc1-c1ccccc1)c1cccnc1-c1ccccc1.[Ru].
What is the InChIKey of 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium?
The InChIKey is MRFTYGPHRNVSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3.Ru/c25-17-22(20-13-7-15-26-23(20)18-9-3-1-4-10-18)21-14-8-16-27-24(21)19-11-5-2-6-12-19;/h1-16,22H;.
What are the key properties of 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium?
2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium has a molecular weight of 448.49 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-phenyl-3-pyridinyl)acetonitrile;ruthenium is sourced from PubChem (CID 159648307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).