2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine

C198H148N12O10P10 — CID 158954495

IUPAC2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccnc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1cccnc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ccncc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccncc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ncccn2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ncccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2ccccn2)cc1-c1ccccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/4C40H30N2O2P2.C38H28N4O2P2/c43-45(34-17-5-1-6-18-34,35-19-7-2-8-20-35)38-27-33(31-15-13-25-41-29-31)28-39(40(38)32-16-14-26-42-30-32)46(44,36-21-9-3-10-22-36)37-23-11-4-12-24-37;43-45(33-17-5-1-6-18-33,34-19-7-2-8-20-34)39-28-40(46(44,35-21-9-3-10-22-35)36-23-11-4-12-24-36)38(32-16-14-26-42-30-32)27-37(39)31-15-13-25-41-29-31;43-45(31-17-5-1-6-18-31,32-19-7-2-8-20-32)39-30-40(46(44,33-21-9-3-10-22-33)34-23-11-4-12-24-34)36(38-26-14-16-28-42-38)29-35(39)37-25-13-15-27-41-37;43-45(34-13-5-1-6-14-34,35-15-7-2-8-16-35)38-29-33(31-21-25-41-26-22-31)30-39(40(38)32-23-27-42-28-24-32)46(44,36-17-9-3-10-18-36)37-19-11-4-12-20-37;43-45(30-15-5-1-6-16-30,31-17-7-2-8-18-31)34-27-29(37-39-23-13-24-40-37)28-35(36(34)38-41-25-14-26-42-38)46(44,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h4*1-30H;1-28H
InChIKeyJLVJFLOWRPPBHB-UHFFFAOYSA-N
MW3165.18 g/mol
LogP34.24
Rot. Bonds40

About 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine

2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine (PubChem CID 158954495) has the molecular formula C198H148N12O10P10 and a molecular weight of 3165.18 g/mol. Its IUPAC name is 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine.

Molecular Properties

Compound Name2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine
PubChem CID158954495
Molecular FormulaC198H148N12O10P10
Molecular Weight3165.18 g/mol
Exact Mass3162.88
IUPAC Name2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccnc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1cccnc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ccncc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccncc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ncccn2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ncccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2ccccn2)cc1-c1ccccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2cccnc2)cc1-c1cccnc1
InChIInChI=1S/4C40H30N2O2P2.C38H28N4O2P2/c43-45(34-17-5-1-6-18-34,35-19-7-2-8-20-35)38-27-33(31-15-13-25-41-29-31)28-39(40(38)32-16-14-26-42-30-32)46(44,36-21-9-3-10-22-36)37-23-11-4-12-24-37;43-45(33-17-5-1-6-18-33,34-19-7-2-8-20-34)39-28-40(46(44,35-21-9-3-10-22-35)36-23-11-4-12-24-36)38(32-16-14-26-42-30-32)27-37(39)31-15-13-25-41-29-31;43-45(31-17-5-1-6-18-31,32-19-7-2-8-20-32)39-30-40(46(44,33-21-9-3-10-22-33)34-23-11-4-12-24-34)36(38-26-14-16-28-42-38)29-35(39)37-25-13-15-27-41-37;43-45(34-13-5-1-6-14-34,35-15-7-2-8-16-35)38-29-33(31-21-25-41-26-22-31)30-39(40(38)32-23-27-42-28-24-32)46(44,36-17-9-3-10-18-36)37-19-11-4-12-20-37;43-45(30-15-5-1-6-16-30,31-17-7-2-8-18-31)34-27-29(37-39-23-13-24-40-37)28-35(36(34)38-41-25-14-26-42-38)46(44,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h4*1-30H;1-28H
InChIKeyJLVJFLOWRPPBHB-UHFFFAOYSA-N
XLogP34.24
TPSA325.38 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds40
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.18
LogP ≤ 534.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine with MolForge

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Related Compounds

B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
2,4-Bis(3,5-di-4-pyridinylphenyl)-6-phenyl-1,3,5-triazine
CID 102220863
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-3-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117829609
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
CID 58731988
CID 58731988
4,6-Bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine
CID 118521281
2-[4-[4-[6-[4-[1-(2-Phosphonoethyl)pyridin-1-ium-4-yl]phenyl]-2-(2,4,6-trifluorophenyl)pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]ethylphosphonic acid
CID 121289774
[4-[[4-[4-[6-[4-(1-Ethylpyridin-1-ium-4-yl)phenyl]-2-phenyl-5-(trifluoromethyl)pyrimidin-4-yl]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid
CID 121289785

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine?
The IUPAC name of 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine (CID 158954495) is 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine.
What is the SMILES notation for 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine?
The canonical SMILES for 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine is O=P(c1ccccc1)(c1ccccc1)c1cc(-c2cccnc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1cccnc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ccncc2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ccncc1.O=P(c1ccccc1)(c1ccccc1)c1cc(-c2ncccn2)cc(P(=O)(c2ccccc2)c2ccccc2)c1-c1ncccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2ccccn2)cc1-c1ccccn1.O=P(c1ccccc1)(c1ccccc1)c1cc(P(=O)(c2ccccc2)c2ccccc2)c(-c2cccnc2)cc1-c1cccnc1.
What is the InChIKey of 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine?
The InChIKey is JLVJFLOWRPPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C40H30N2O2P2.C38H28N4O2P2/c43-45(34-17-5-1-6-18-34,35-19-7-2-8-20-35)38-27-33(31-15-13-25-41-29-31)28-39(40(38)32-16-14-26-42-30-32)46(44,36-21-9-3-10-22-36)37-23-11-4-12-24-37;43-45(33-17-5-1-6-18-33,34-19-7-2-8-20-34)39-28-40(46(44,35-21-9-3-10-22-35)36-23-11-4-12-24-36)38(32-16-14-26-42-30-32)27-37(39)31-15-13-25-41-29-31;43-45(31-17-5-1-6-18-31,32-19-7-2-8-20-32)39-30-40(46(44,33-21-9-3-10-22-33)34-23-11-4-12-24-34)36(38-26-14-16-28-42-38)29-35(39)37-25-13-15-27-41-37;43-45(34-13-5-1-6-14-34,35-15-7-2-8-16-35)38-29-33(31-21-25-41-26-22-31)30-39(40(38)32-23-27-42-28-24-32)46(44,36-17-9-3-10-18-36)37-19-11-4-12-20-37;43-45(30-15-5-1-6-16-30,31-17-7-2-8-18-31)34-27-29(37-39-23-13-24-40-37)28-35(36(34)38-41-25-14-26-42-38)46(44,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h4*1-30H;1-28H.
What are the key properties of 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine?
2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine has a molecular weight of 3165.18 g/mol, XLogP of 34.24, 40 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(diphenylphosphoryl)-5-pyridin-2-ylphenyl]pyridine;3-[2,4-bis(diphenylphosphoryl)-5-pyridin-3-ylphenyl]pyridine;3-[3,5-bis(diphenylphosphoryl)-4-pyridin-3-ylphenyl]pyridine;4-[3,5-bis(diphenylphosphoryl)-4-pyridin-4-ylphenyl]pyridine;2-[3,5-bis(diphenylphosphoryl)-4-pyrimidin-2-ylphenyl]pyrimidine is sourced from PubChem (CID 158954495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).