N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine

C25H27I2N3P2 — CID 122211610

IUPACN,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine
SMILESCc1cccc(C)c1/N=C1/N(c2c(C)cccc2C)P(I)N(c2c(C)cccc2C)P1I
InChIInChI=1S/C25H27I2N3P2/c1-16-10-7-11-17(2)22(16)28-25-29(23-18(3)12-8-13-19(23)4)32(27)30(31(25)26)24-20(5)14-9-15-21(24)6/h7-15H,1-6H3/b28-25-
InChIKeyJPSIBXJGXYZTLU-FVDSYPCUSA-N
MW685.27 g/mol
LogP9.96
Rot. Bonds3

About N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine

N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine (PubChem CID 122211610) has the molecular formula C25H27I2N3P2 and a molecular weight of 685.27 g/mol. Its IUPAC name is N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine.

Molecular Properties

Compound NameN,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine
PubChem CID122211610
Molecular FormulaC25H27I2N3P2
Molecular Weight685.27 g/mol
Exact Mass684.98
IUPAC NameN,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine
SMILESCc1cccc(C)c1/N=C1/N(c2c(C)cccc2C)P(I)N(c2c(C)cccc2C)P1I
InChIInChI=1S/C25H27I2N3P2/c1-16-10-7-11-17(2)22(16)28-25-29(23-18(3)12-8-13-19(23)4)32(27)30(31(25)26)24-20(5)14-9-15-21(24)6/h7-15H,1-6H3/b28-25-
InChIKeyJPSIBXJGXYZTLU-FVDSYPCUSA-N
XLogP9.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.27
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,7-bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]-N-(2,6-dimethylphenyl)-2,7-diaza-1,4-diphosphabicyclo[2.2.1]hept-5-en-3-imine
CID 139124421
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
CID 87959854
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
CID 158655224
4-N,5-N,9-N,10-N-tetrakis(2,6-dimethylphenyl)pyrene-4,5,9,10-tetraimine
CID 102141031
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-benzodithiine-2,3-diimine
CID 22638444
1-[3-methyl-2-(methyldiazenyl)anilino]ethanol
CID 134239529
dichloro-(2,6-dimethylphenyl)iminovanadium
CID 11258603
N-(2,6-dimethylphenyl)ethanimine
CID 10993945
1,5,6,10-tetramethylphenazine
CID 20660475
N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
CID 10291574
N-(2,6-dimethylphenyl)-3-methyl-4H-1,3-benzothiazin-2-imine
CID 135011052

Frequently Asked Questions

What is the IUPAC name of N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine?
The IUPAC name of N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine (CID 122211610) is N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine.
What is the SMILES notation for N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine?
The canonical SMILES for N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine is Cc1cccc(C)c1/N=C1/N(c2c(C)cccc2C)P(I)N(c2c(C)cccc2C)P1I.
What is the InChIKey of N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine?
The InChIKey is JPSIBXJGXYZTLU-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H27I2N3P2/c1-16-10-7-11-17(2)22(16)28-25-29(23-18(3)12-8-13-19(23)4)32(27)30(31(25)26)24-20(5)14-9-15-21(24)6/h7-15H,1-6H3/b28-25-.
What are the key properties of N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine?
N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine has a molecular weight of 685.27 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-tris(2,6-dimethylphenyl)-2,4-diiodo-1,3,2,4-diazadiphospholidin-5-imine is sourced from PubChem (CID 122211610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).