5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide

C50H32N6O2P2 — CID 129089140

IUPAC5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5P(=O)(c5ccccc5)c5ccccc54)nc23)c2ccccc21
InChIInChI=1S/C50H32N6O2P2/c57-59(34-15-3-1-4-16-34)42-23-11-7-19-38(42)55(39-20-8-12-24-43(39)59)33-31-37-48-47(51-29-30-52-48)36-27-28-46(54-50(36)49(37)53-32-33)56-40-21-9-13-25-44(40)60(58,35-17-5-2-6-18-35)45-26-14-10-22-41(45)56/h1-32H
InChIKeyKWQZYZPUWBRPLC-UHFFFAOYSA-N
MW810.79 g/mol
LogP9.57
Rot. Bonds4

About 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide

5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide (PubChem CID 129089140) has the molecular formula C50H32N6O2P2 and a molecular weight of 810.79 g/mol. Its IUPAC name is 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide.

Molecular Properties

Compound Name5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
PubChem CID129089140
Molecular FormulaC50H32N6O2P2
Molecular Weight810.79 g/mol
Exact Mass810.21
IUPAC Name5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5P(=O)(c5ccccc5)c5ccccc54)nc23)c2ccccc21
InChIInChI=1S/C50H32N6O2P2/c57-59(34-15-3-1-4-16-34)42-23-11-7-19-38(42)55(39-20-8-12-24-43(39)59)33-31-37-48-47(51-29-30-52-48)36-27-28-46(54-50(36)49(37)53-32-33)56-40-21-9-13-25-44(40)60(58,35-17-5-2-6-18-35)45-26-14-10-22-41(45)56/h1-32H
InChIKeyKWQZYZPUWBRPLC-UHFFFAOYSA-N
XLogP9.57
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.79
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide?
The IUPAC name of 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide (CID 129089140) is 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide.
What is the SMILES notation for 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide?
The canonical SMILES for 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5P(=O)(c5ccccc5)c5ccccc54)nc23)c2ccccc21.
What is the InChIKey of 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide?
The InChIKey is KWQZYZPUWBRPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6O2P2/c57-59(34-15-3-1-4-16-34)42-23-11-7-19-38(42)55(39-20-8-12-24-43(39)59)33-31-37-48-47(51-29-30-52-48)36-27-28-46(54-50(36)49(37)53-32-33)56-40-21-9-13-25-44(40)60(58,35-17-5-2-6-18-35)45-26-14-10-22-41(45)56/h1-32H.
What are the key properties of 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide?
5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide has a molecular weight of 810.79 g/mol, XLogP of 9.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10-oxo-10-phenylphenophosphazinin-5-yl)pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-10-phenylphenophosphazinine 10-oxide is sourced from PubChem (CID 129089140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).