phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane

C28H23N4P — CID 177406643

IUPACphenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane
SMILESc1ccc(P(Cc2cccc(-c3ccccn3)n2)Cc2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C28H23N4P/c1-2-12-24(13-3-1)33(20-22-10-8-16-27(31-22)25-14-4-6-18-29-25)21-23-11-9-17-28(32-23)26-15-5-7-19-30-26/h1-19H,20-21H2
InChIKeyIMGZRURSKPRVHC-UHFFFAOYSA-N
MW446.49 g/mol
LogP6.11
Rot. Bonds7

About phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane

phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane (PubChem CID 177406643) has the molecular formula C28H23N4P and a molecular weight of 446.49 g/mol. Its IUPAC name is phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Namephenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane
PubChem CID177406643
Molecular FormulaC28H23N4P
Molecular Weight446.49 g/mol
Exact Mass446.17
IUPAC Namephenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane
SMILESc1ccc(P(Cc2cccc(-c3ccccn3)n2)Cc2cccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C28H23N4P/c1-2-12-24(13-3-1)33(20-22-10-8-16-27(31-22)25-14-4-6-18-29-25)21-23-11-9-17-28(32-23)26-15-5-7-19-30-26/h1-19H,20-21H2
InChIKeyIMGZRURSKPRVHC-UHFFFAOYSA-N
XLogP6.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,2'-Bipyridine
CID 1474
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,2':6',2''-Terpyridine
CID 70848
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
3,6-Di(2-pyridyl)pyridazine
CID 659563
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
Tris(2-pyridylmethyl)amine
CID 379259
2-(2-(Diphenylphosphino)ethyl)pyridine
CID 611860
2,3-Bis(2-pyridyl)pyrazine
CID 719680
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674

Frequently Asked Questions

What is the IUPAC name of phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane?
The IUPAC name of phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane (CID 177406643) is phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane.
What is the SMILES notation for phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane?
The canonical SMILES for phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane is c1ccc(P(Cc2cccc(-c3ccccn3)n2)Cc2cccc(-c3ccccn3)n2)cc1.
What is the InChIKey of phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane?
The InChIKey is IMGZRURSKPRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N4P/c1-2-12-24(13-3-1)33(20-22-10-8-16-27(31-22)25-14-4-6-18-29-25)21-23-11-9-17-28(32-23)26-15-5-7-19-30-26/h1-19H,20-21H2.
What are the key properties of phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane?
phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane has a molecular weight of 446.49 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane is sourced from PubChem (CID 177406643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).