3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

C19H20N4O4 — CID 25228199

IUPAC3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCc1cc([N+](=O)[O-])c(C)c2c1N1Cc3c(C)c([N+](=O)[O-])cc(C)c3N(C2)C1
InChIInChI=1S/C19H20N4O4/c1-10-5-16(22(24)25)12(3)14-7-21-9-20(18(10)14)8-15-13(4)17(23(26)27)6-11(2)19(15)21/h5-6H,7-9H2,1-4H3
InChIKeyFUSHFFWSGNDPJD-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.03
Rot. Bonds2

About 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 25228199) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID25228199
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCc1cc([N+](=O)[O-])c(C)c2c1N1Cc3c(C)c([N+](=O)[O-])cc(C)c3N(C2)C1
InChIInChI=1S/C19H20N4O4/c1-10-5-16(22(24)25)12(3)14-7-21-9-20(18(10)14)8-15-13(4)17(23(26)27)6-11(2)19(15)21/h5-6H,7-9H2,1-4H3
InChIKeyFUSHFFWSGNDPJD-UHFFFAOYSA-N
XLogP4.03
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene with MolForge

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Related Compounds

6,14-dimethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 25228201
5,13-dibromo-3,6,11,14-tetramethyl-4,12-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
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Frequently Asked Questions

What is the IUPAC name of 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (CID 25228199) is 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is Cc1cc([N+](=O)[O-])c(C)c2c1N1Cc3c(C)c([N+](=O)[O-])cc(C)c3N(C2)C1.
What is the InChIKey of 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is FUSHFFWSGNDPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-10-5-16(22(24)25)12(3)14-7-21-9-20(18(10)14)8-15-13(4)17(23(26)27)6-11(2)19(15)21/h5-6H,7-9H2,1-4H3.
What are the key properties of 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 368.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,11,14-tetramethyl-5,13-dinitro-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 25228199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).