(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene

C34H24N5O6P3 — CID 15873624

IUPAC—
SMILESc1ccc2c(c1)OP1(=NP(Oc3ccncc3)(Oc3ccncc3)=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-2
InChIInChI=1S/C34H24N5O6P3/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)43-47(42-31)37-46(40-25-17-21-35-22-18-25,41-26-19-23-36-24-20-26)38-48(39-47)44-33-15-7-3-11-29(33)30-12-4-8-16-34(30)45-48/h1-24H
InChIKeyYGZJDFTTZNRGMC-UHFFFAOYSA-N
MW691.52 g/mol
LogP11.06
Rot. Bonds4

About (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene

(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene (PubChem CID 15873624) has the molecular formula C34H24N5O6P3 and a molecular weight of 691.52 g/mol.

Molecular Properties

Compound Name(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene
PubChem CID15873624
Molecular FormulaC34H24N5O6P3
Molecular Weight691.52 g/mol
Exact Mass691.09
IUPAC Name—
SMILESc1ccc2c(c1)OP1(=NP(Oc3ccncc3)(Oc3ccncc3)=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-2
InChIInChI=1S/C34H24N5O6P3/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)43-47(42-31)37-46(40-25-17-21-35-22-18-25,41-26-19-23-36-24-20-26)38-48(39-47)44-33-15-7-3-11-29(33)30-12-4-8-16-34(30)45-48/h1-24H
InChIKeyYGZJDFTTZNRGMC-UHFFFAOYSA-N
XLogP11.06
TPSA118.24 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.52
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

Pentaphenoxy(3-pyridylmethylamino)cyclotriphosphazene
CID 15390195
4,4,6,6-Tetrapyridin-2-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 101450386
4,4,6,6-Tetrapyridin-3-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 102199832
CID 102199833
CID 102199833
bis(2,6-dimethylphenyl) [(1S,2S)-1,2-diphenyl-1-pyridin-4-ylbutyl] phosphate
CID 139051369
2,2'-Biphenol-4,4'-bipyridyl (1/1)
CID 139056495
4-Pyridin-4-ylpyridine;tetraphenylene-1,8,9,16-tetrol
CID 139123354
Bis(2,6-diphenylphenolate);iron(2+);bis(pyridine)
CID 139135848
Calcium;bis(diphenyl phosphate);4-pyridin-4-ylpyridine
CID 139159168
Spiro(tetrakis-3-pyridyloxy)cyclotriphosphazene
CID 139160216
Ethoxyethane;bis(2-(2-oxido-3-phenylphenyl)-6-phenylphenolate);bis(pyridine);titanium(4+)
CID 139173205
CID 139241320
CID 139241320

Frequently Asked Questions

What is the IUPAC name of (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene?
The IUPAC name of (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene (CID 15873624) is not available.
What is the SMILES notation for (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene?
The canonical SMILES for (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene is c1ccc2c(c1)OP1(=NP(Oc3ccncc3)(Oc3ccncc3)=NP3(=N1)Oc1ccccc1-c1ccccc1O3)Oc1ccccc1-2.
What is the InChIKey of (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene?
The InChIKey is YGZJDFTTZNRGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N5O6P3/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)43-47(42-31)37-46(40-25-17-21-35-22-18-25,41-26-19-23-36-24-20-26)38-48(39-47)44-33-15-7-3-11-29(33)30-12-4-8-16-34(30)45-48/h1-24H.
What are the key properties of (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene?
(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene has a molecular weight of 691.52 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri-phosphazene is sourced from PubChem (CID 15873624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).