5,10-dimethyl-2,8-dinitrophenophosphazinine

C14H12N3O4P — CID 71370251

IUPAC5,10-dimethyl-2,8-dinitrophenophosphazinine
SMILESCN1c2ccc([N+](=O)[O-])cc2P(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N3O4P/c1-15-11-5-3-9(16(18)19)7-13(11)22(2)14-8-10(17(20)21)4-6-12(14)15/h3-8H,1-2H3
InChIKeyCEZPEBGIGHIREF-UHFFFAOYSA-N
MW317.24 g/mol
LogP2.65
Rot. Bonds2

About 5,10-dimethyl-2,8-dinitrophenophosphazinine

5,10-dimethyl-2,8-dinitrophenophosphazinine (PubChem CID 71370251) has the molecular formula C14H12N3O4P and a molecular weight of 317.24 g/mol. Its IUPAC name is 5,10-dimethyl-2,8-dinitrophenophosphazinine.

Molecular Properties

Compound Name5,10-dimethyl-2,8-dinitrophenophosphazinine
PubChem CID71370251
Molecular FormulaC14H12N3O4P
Molecular Weight317.24 g/mol
Exact Mass317.06
IUPAC Name5,10-dimethyl-2,8-dinitrophenophosphazinine
SMILESCN1c2ccc([N+](=O)[O-])cc2P(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N3O4P/c1-15-11-5-3-9(16(18)19)7-13(11)22(2)14-8-10(17(20)21)4-6-12(14)15/h3-8H,1-2H3
InChIKeyCEZPEBGIGHIREF-UHFFFAOYSA-N
XLogP2.65
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 12726103
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CID 53253608
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CID 3829099
2-iodo-1-methyl-5-nitro-2,1-benzothiazole
CID 134938491
(4S)-1,4-dimethyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 7070787
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
5-methyl-3-nitrobenzo[b][1,4]benzothiazepin-6-one
CID 23658673
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-2,8-dinitrophenophosphazinine?
The IUPAC name of 5,10-dimethyl-2,8-dinitrophenophosphazinine (CID 71370251) is 5,10-dimethyl-2,8-dinitrophenophosphazinine.
What is the SMILES notation for 5,10-dimethyl-2,8-dinitrophenophosphazinine?
The canonical SMILES for 5,10-dimethyl-2,8-dinitrophenophosphazinine is CN1c2ccc([N+](=O)[O-])cc2P(C)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5,10-dimethyl-2,8-dinitrophenophosphazinine?
The InChIKey is CEZPEBGIGHIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3O4P/c1-15-11-5-3-9(16(18)19)7-13(11)22(2)14-8-10(17(20)21)4-6-12(14)15/h3-8H,1-2H3.
What are the key properties of 5,10-dimethyl-2,8-dinitrophenophosphazinine?
5,10-dimethyl-2,8-dinitrophenophosphazinine has a molecular weight of 317.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-2,8-dinitrophenophosphazinine is sourced from PubChem (CID 71370251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).