2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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

C139H87N35O10P8 — CID 160819624

IUPAC2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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
SMILESO=P1(c2ccc(P3(=O)N(c4ccccc4)c4nonc4N3c3ccccc3)cc2)N(c2ccccc2)c2nonc2N1c1ccccc1.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)c2)N1c1ccccc1.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)n2)N1c1ccccc1
InChIInChI=1S/C54H33N12O3P3.C51H30N15O3P3.C34H24N8O4P2/c1-59-53-54(60-2)66(45-31-19-8-20-32-45)72(69,65(53)44-29-17-7-18-30-44)48-34-46(70(67)61(40-21-9-3-10-22-40)49(36-55)50(37-56)62(70)41-23-11-4-12-24-41)33-47(35-48)71(68)63(42-25-13-5-14-26-42)51(38-57)52(39-58)64(71)43-27-15-6-16-28-43;1-56-47-48(57-2)66(42-31-19-8-20-32-42)72(69,65(47)41-29-17-7-18-30-41)51-59-49(70(67)61(37-21-9-3-10-22-37)43(33-52)44(34-53)62(70)38-23-11-4-12-24-38)58-50(60-51)71(68)63(39-25-13-5-14-26-39)45(35-54)46(36-55)64(71)40-27-15-6-16-28-40;43-47(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/h3-35H;3-32H;1-24H
InChIKeySFJBTBLPLLNCTI-UHFFFAOYSA-N
MW2655.25 g/mol
LogP29.66
Rot. Bonds24

About 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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

2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 160819624) has the molecular formula C139H87N35O10P8 and a molecular weight of 2655.25 g/mol. Its IUPAC name is 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 Name2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 CID160819624
Molecular FormulaC139H87N35O10P8
Molecular Weight2655.25 g/mol
Exact Mass2653.53
IUPAC Name2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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
SMILESO=P1(c2ccc(P3(=O)N(c4ccccc4)c4nonc4N3c3ccccc3)cc2)N(c2ccccc2)c2nonc2N1c1ccccc1.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)c2)N1c1ccccc1.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)n2)N1c1ccccc1
InChIInChI=1S/C54H33N12O3P3.C51H30N15O3P3.C34H24N8O4P2/c1-59-53-54(60-2)66(45-31-19-8-20-32-45)72(69,65(53)44-29-17-7-18-30-44)48-34-46(70(67)61(40-21-9-3-10-22-40)49(36-55)50(37-56)62(70)41-23-11-4-12-24-41)33-47(35-48)71(68)63(42-25-13-5-14-26-42)51(38-57)52(39-58)64(71)43-27-15-6-16-28-43;1-56-47-48(57-2)66(42-31-19-8-20-32-42)72(69,65(47)41-29-17-7-18-30-41)51-59-49(70(67)61(37-21-9-3-10-22-37)43(33-52)44(34-53)62(70)38-23-11-4-12-24-38)58-50(60-51)71(68)63(39-25-13-5-14-26-39)45(35-54)46(36-55)64(71)40-27-15-6-16-28-40;43-47(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/h3-35H;3-32H;1-24H
InChIKeySFJBTBLPLLNCTI-UHFFFAOYSA-N
XLogP29.66
TPSA512.67 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002655.25
LogP ≤ 529.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 160819624) is 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)cc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)c2)N1c1ccccc1.[C-]#[N+]C1=C([N+]#[C-])N(c2ccccc2)P(=O)(c2nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)nc(P3(=O)N(c4ccccc4)C(C#N)=C(C#N)N3c3ccccc3)n2)N1c1ccccc1.
What is the InChIKey of 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 SFJBTBLPLLNCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N12O3P3.C51H30N15O3P3.C34H24N8O4P2/c1-59-53-54(60-2)66(45-31-19-8-20-32-45)72(69,65(53)44-29-17-7-18-30-44)48-34-46(70(67)61(40-21-9-3-10-22-40)49(36-55)50(37-56)62(70)41-23-11-4-12-24-41)33-47(35-48)71(68)63(42-25-13-5-14-26-42)51(38-57)52(39-58)64(71)43-27-15-6-16-28-43;1-56-47-48(57-2)66(42-31-19-8-20-32-42)72(69,65(47)41-29-17-7-18-30-41)51-59-49(70(67)61(37-21-9-3-10-22-37)43(33-52)44(34-53)62(70)38-23-11-4-12-24-38)58-50(60-51)71(68)63(39-25-13-5-14-26-39)45(35-54)46(36-55)64(71)40-27-15-6-16-28-40;43-47(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/h3-35H;3-32H;1-24H.
What are the key properties of 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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?
2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 2655.25 g/mol, XLogP of 29.66, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-5-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)phenyl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;2-[4-(4,5-dicyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-6-(4,5-diisocyano-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphol-2-yl)-1,3,5-triazin-2-yl]-2-oxo-1,3-diphenyl-1,3,2λ5-diazaphosphole-4,5-dicarbonitrile;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 160819624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).