2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene

C19H10ClN5O2 — CID 71593660

IUPAC2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESO=[N+]([O-])c1ccc2nc3c(cnc4c3cnn4-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C19H10ClN5O2/c20-17-13-8-12(25(26)27)6-7-16(13)23-18-14(17)9-21-19-15(18)10-22-24(19)11-4-2-1-3-5-11/h1-10H
InChIKeyJPYWPZNXCFLNTJ-UHFFFAOYSA-N
MW375.78 g/mol
LogP4.68
Rot. Bonds2

About 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene

2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene (PubChem CID 71593660) has the molecular formula C19H10ClN5O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene.

Molecular Properties

Compound Name2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
PubChem CID71593660
Molecular FormulaC19H10ClN5O2
Molecular Weight375.78 g/mol
Exact Mass375.05
IUPAC Name2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
SMILESO=[N+]([O-])c1ccc2nc3c(cnc4c3cnn4-c3ccccc3)c(Cl)c2c1
InChIInChI=1S/C19H10ClN5O2/c20-17-13-8-12(25(26)27)6-7-16(13)23-18-14(17)9-21-19-15(18)10-22-24(19)11-4-2-1-3-5-11/h1-10H
InChIKeyJPYWPZNXCFLNTJ-UHFFFAOYSA-N
XLogP4.68
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene with MolForge

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Related Compounds

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CID 71593631
6-nitro-2-phenylphthalazin-1-one
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10-(4-chlorophenyl)-4-(3-nitrophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
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2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-5-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The IUPAC name of 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene (CID 71593660) is 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene.
What is the SMILES notation for 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The canonical SMILES for 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene is O=[N+]([O-])c1ccc2nc3c(cnc4c3cnn4-c3ccccc3)c(Cl)c2c1.
What is the InChIKey of 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
The InChIKey is JPYWPZNXCFLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN5O2/c20-17-13-8-12(25(26)27)6-7-16(13)23-18-14(17)9-21-19-15(18)10-22-24(19)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene?
2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene has a molecular weight of 375.78 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene is sourced from PubChem (CID 71593660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).