5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide

C34H24N8O4P2 — CID 58399840

IUPAC5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
SMILESO=P1(c2ccc(P3(=O)N(c4ccccc4)c4nonc4N3c3ccccc3)cc2)N(c2ccccc2)c2nonc2N1c1ccccc1
InChIInChI=1S/C34H24N8O4P2/c43-47(39(25-13-5-1-6-14-25)31-32(36-45-35-31)40(47)26-15-7-2-8-16-26)29-21-23-30(24-22-29)48(44)41(27-17-9-3-10-18-27)33-34(38-46-37-33)42(48)28-19-11-4-12-20-28/h1-24H
InChIKeyCAABALTUCCKWTB-UHFFFAOYSA-N
MW670.57 g/mol
LogP8.07
Rot. Bonds6

About 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide

5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide (PubChem CID 58399840) has the molecular formula C34H24N8O4P2 and a molecular weight of 670.57 g/mol. Its IUPAC name is 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide.

Molecular Properties

Compound Name5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
PubChem CID58399840
Molecular FormulaC34H24N8O4P2
Molecular Weight670.57 g/mol
Exact Mass670.14
IUPAC Name5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide
SMILESO=P1(c2ccc(P3(=O)N(c4ccccc4)c4nonc4N3c3ccccc3)cc2)N(c2ccccc2)c2nonc2N1c1ccccc1
InChIInChI=1S/C34H24N8O4P2/c43-47(39(25-13-5-1-6-14-25)31-32(36-45-35-31)40(47)26-15-7-2-8-16-26)29-21-23-30(24-22-29)48(44)41(27-17-9-3-10-18-27)33-34(38-46-37-33)42(48)28-19-11-4-12-20-28/h1-24H
InChIKeyCAABALTUCCKWTB-UHFFFAOYSA-N
XLogP8.07
TPSA124.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.57
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The IUPAC name of 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide (CID 58399840) is 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide.
What is the SMILES notation for 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The canonical SMILES for 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide is O=P1(c2ccc(P3(=O)N(c4ccccc4)c4nonc4N3c3ccccc3)cc2)N(c2ccccc2)c2nonc2N1c1ccccc1.
What is the InChIKey of 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
The InChIKey is CAABALTUCCKWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N8O4P2/c43-47(39(25-13-5-1-6-14-25)31-32(36-45-35-31)40(47)26-15-7-2-8-16-26)29-21-23-30(24-22-29)48(44)41(27-17-9-3-10-18-27)33-34(38-46-37-33)42(48)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide?
5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide has a molecular weight of 670.57 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-oxo-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazol-5-yl)phenyl]-4,6-diphenyl-[1,3,2]diazaphospholo[4,5-c][1,2,5]oxadiazole 5-oxide is sourced from PubChem (CID 58399840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).