2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine

C28H23N4OP — CID 11641219

IUPAC2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(P(=O)(c3ccccc3)c3cccc(-c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C28H23N4OP/c1-20-10-6-14-23(29-20)25-16-8-18-27(31-25)34(33,22-12-4-3-5-13-22)28-19-9-17-26(32-28)24-15-7-11-21(2)30-24/h3-19H,1-2H3
InChIKeyVRLLTVQAOADTSR-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.86
Rot. Bonds5

About 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine

2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine (PubChem CID 11641219) has the molecular formula C28H23N4OP and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine
PubChem CID11641219
Molecular FormulaC28H23N4OP
Molecular Weight462.49 g/mol
Exact Mass462.16
IUPAC Name2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine
SMILESCc1cccc(-c2cccc(P(=O)(c3ccccc3)c3cccc(-c4cccc(C)n4)n3)n2)n1
InChIInChI=1S/C28H23N4OP/c1-20-10-6-14-23(29-20)25-16-8-18-27(31-25)34(33,22-12-4-3-5-13-22)28-19-9-17-26(32-28)24-15-7-11-21(2)30-24/h3-19H,1-2H3
InChIKeyVRLLTVQAOADTSR-UHFFFAOYSA-N
XLogP4.86
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine
CID 89858579
6,6''-Dimethyl-2,2':6',2''-terpyridine
CID 11257813
Sexipyridine
CID 13062899
bis(2,2'-bipyridine)iron(II)
CID 152110
[2.1.1]-(2,6)-Pyridinophane
CID 11205659
2,6-Bis(6-methyl-2-pyridylmethyl)pyridine
CID 11335240
Tris(6-methyl-2-pyridylmethyl)amine
CID 11115050
1~2~,2~2~:2~6~,3~2~:3~6~,4~2~:4~6~,5~2~-Quinquepyridine
CID 12581139
6,6''-Diphenyl-2,2':6',2''-terpyridine
CID 15387489
1,2-Bis[2-(bis(6-methyl-2-pyridyl)methyl)-6-pyridyl]ethane
CID 69412190
2,2':6',2'':6'',2''':6''',2'''':6'''',2'''''-Sexipyridine
CID 11123456
2,6-Bis[6-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
CID 88535802

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine (CID 11641219) is 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine is Cc1cccc(-c2cccc(P(=O)(c3ccccc3)c3cccc(-c4cccc(C)n4)n3)n2)n1.
What is the InChIKey of 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine?
The InChIKey is VRLLTVQAOADTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N4OP/c1-20-10-6-14-23(29-20)25-16-8-18-27(31-25)34(33,22-12-4-3-5-13-22)28-19-9-17-26(32-28)24-15-7-11-21(2)30-24/h3-19H,1-2H3.
What are the key properties of 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine?
2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine has a molecular weight of 462.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine is sourced from PubChem (CID 11641219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).