2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene

C19H11ClN4 — CID 71593636

IUPAC2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene
SMILESClc1c2ccccc2nc2c1cnc1c2cnn1-c1ccccc1
InChIInChI=1S/C19H11ClN4/c20-17-13-8-4-5-9-16(13)23-18-14(17)10-21-19-15(18)11-22-24(19)12-6-2-1-3-7-12/h1-11H
InChIKeyFWFFQMIUDYMARM-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.78
Rot. Bonds1

About 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene

2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene (PubChem CID 71593636) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene.

Molecular Properties

Compound Name2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene
PubChem CID71593636
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene
SMILESClc1c2ccccc2nc2c1cnc1c2cnn1-c1ccccc1
InChIInChI=1S/C19H11ClN4/c20-17-13-8-4-5-9-16(13)23-18-14(17)10-21-19-15(18)11-22-24(19)12-6-2-1-3-7-12/h1-11H
InChIKeyFWFFQMIUDYMARM-UHFFFAOYSA-N
XLogP4.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene?
The IUPAC name of 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene (CID 71593636) is 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene.
What is the SMILES notation for 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene?
The canonical SMILES for 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene is Clc1c2ccccc2nc2c1cnc1c2cnn1-c1ccccc1.
What is the InChIKey of 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene?
The InChIKey is FWFFQMIUDYMARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-17-13-8-4-5-9-16(13)23-18-14(17)10-21-19-15(18)11-22-24(19)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene?
2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene has a molecular weight of 330.78 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,11(15),12,16-octaene is sourced from PubChem (CID 71593636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).