N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane

C46H36Cl2N4P2 — CID 139169622

IUPACN,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane
SMILESClCCl.c1ccc(P(c2ccccc2)N(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H34N4P2.CH2Cl2/c1-5-17-38(18-6-1)50(39-19-7-2-8-20-39)49(51(40-21-9-3-10-22-40)41-23-11-4-12-24-41)37-29-27-35(28-30-37)36-33-44(42-25-13-15-31-46-42)48-45(34-36)43-26-14-16-32-47-43;2-1-3/h1-34H;1H2
InChIKeyKQOGONUNANPFAW-UHFFFAOYSA-N
MW777.68 g/mol
LogP11.20
Rot. Bonds10

About N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane

N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane (PubChem CID 139169622) has the molecular formula C46H36Cl2N4P2 and a molecular weight of 777.68 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane
PubChem CID139169622
Molecular FormulaC46H36Cl2N4P2
Molecular Weight777.68 g/mol
Exact Mass776.18
IUPAC NameN,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane
SMILESClCCl.c1ccc(P(c2ccccc2)N(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H34N4P2.CH2Cl2/c1-5-17-38(18-6-1)50(39-19-7-2-8-20-39)49(51(40-21-9-3-10-22-40)41-23-11-4-12-24-41)37-29-27-35(28-30-37)36-33-44(42-25-13-15-31-46-42)48-45(34-36)43-26-14-16-32-47-43;2-1-3/h1-34H;1H2
InChIKeyKQOGONUNANPFAW-UHFFFAOYSA-N
XLogP11.20
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.68
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4-(4-chlorophenyl)-2,6-dipyridin-2-ylpyridine
CID 10871645
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
4-[2-[4-(4-hydroxyphenyl)-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenol
CID 136661911
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane?
The IUPAC name of N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane (CID 139169622) is N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane is ClCCl.c1ccc(P(c2ccccc2)N(c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane?
The InChIKey is KQOGONUNANPFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4P2.CH2Cl2/c1-5-17-38(18-6-1)50(39-19-7-2-8-20-39)49(51(40-21-9-3-10-22-40)41-23-11-4-12-24-41)37-29-27-35(28-30-37)36-33-44(42-25-13-15-31-46-42)48-45(34-36)43-26-14-16-32-47-43;2-1-3/h1-34H;1H2.
What are the key properties of N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane?
N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane has a molecular weight of 777.68 g/mol, XLogP of 11.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-4-(2,6-dipyridin-2-yl-4-pyridinyl)aniline;dichloromethane is sourced from PubChem (CID 139169622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).