[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane

C31H27NP2 — CID 15763240

IUPAC[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cncc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C31H27NP2/c1-5-13-28(14-6-1)33(29-15-7-2-8-16-29)24-26-21-27(23-32-22-26)25-34(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-23H,24-25H2
InChIKeyPXTMFITYVREVNY-UHFFFAOYSA-N
MW475.51 g/mol
LogP6.35
Rot. Bonds8

About [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane

[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane (PubChem CID 15763240) has the molecular formula C31H27NP2 and a molecular weight of 475.51 g/mol. Its IUPAC name is [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
PubChem CID15763240
Molecular FormulaC31H27NP2
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cncc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C31H27NP2/c1-5-13-28(14-6-1)33(29-15-7-2-8-16-29)24-26-21-27(23-32-22-26)25-34(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-23H,24-25H2
InChIKeyPXTMFITYVREVNY-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006
bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
CID 139626936
diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
CID 24894846
diphenyl-[(2-pyridin-2-yl-4-pyridinyl)methyl]phosphane
CID 90058250
5,11,17,23-tetrakis(diphenylphosphanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 101359024
benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
CID 135082503
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635

Frequently Asked Questions

What is the IUPAC name of [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane?
The IUPAC name of [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane (CID 15763240) is [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane.
What is the SMILES notation for [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane?
The canonical SMILES for [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane is c1ccc(P(Cc2cncc(CP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane?
The InChIKey is PXTMFITYVREVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NP2/c1-5-13-28(14-6-1)33(29-15-7-2-8-16-29)24-26-21-27(23-32-22-26)25-34(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-23H,24-25H2.
What are the key properties of [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane?
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane has a molecular weight of 475.51 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane is sourced from PubChem (CID 15763240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).