[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane

C32H36NP — CID 11248299

IUPAC[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane
SMILESCc1cccnc1-c1c(P(c2ccccc2)c2ccccc2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H36NP/c1-23-15-14-20-33-30(23)29-27(32(5,6)7)21-24(31(2,3)4)22-28(29)34(25-16-10-8-11-17-25)26-18-12-9-13-19-26/h8-22H,1-7H3
InChIKeyHUZCJIOPWSADDK-UHFFFAOYSA-N
MW465.62 g/mol
LogP7.41
Rot. Bonds4

About [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane

[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane (PubChem CID 11248299) has the molecular formula C32H36NP and a molecular weight of 465.62 g/mol. Its IUPAC name is [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane
PubChem CID11248299
Molecular FormulaC32H36NP
Molecular Weight465.62 g/mol
Exact Mass465.26
IUPAC Name[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane
SMILESCc1cccnc1-c1c(P(c2ccccc2)c2ccccc2)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C32H36NP/c1-23-15-14-20-33-30(23)29-27(32(5,6)7)21-24(31(2,3)4)22-28(29)34(25-16-10-8-11-17-25)26-18-12-9-13-19-26/h8-22H,1-7H3
InChIKeyHUZCJIOPWSADDK-UHFFFAOYSA-N
XLogP7.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane?
The IUPAC name of [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane (CID 11248299) is [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane?
The canonical SMILES for [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane is Cc1cccnc1-c1c(P(c2ccccc2)c2ccccc2)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane?
The InChIKey is HUZCJIOPWSADDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36NP/c1-23-15-14-20-33-30(23)29-27(32(5,6)7)21-24(31(2,3)4)22-28(29)34(25-16-10-8-11-17-25)26-18-12-9-13-19-26/h8-22H,1-7H3.
What are the key properties of [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane?
[3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane has a molecular weight of 465.62 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 11248299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).