14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C24H17N — CID 59838794

IUPAC14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H17N/c1-2-10-18(11-3-1)25-23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17H
InChIKeyZDWPFTASUDRXKR-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.80
Rot. Bonds1

About 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 59838794) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID59838794
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H17N/c1-2-10-18(11-3-1)25-23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17H
InChIKeyZDWPFTASUDRXKR-UHFFFAOYSA-N
XLogP6.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 59838794) is 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is c1ccc(N2c3ccccc3-c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is ZDWPFTASUDRXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c1-2-10-18(11-3-1)25-23-16-8-6-14-21(23)19-12-4-5-13-20(19)22-15-7-9-17-24(22)25/h1-17H.
What are the key properties of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 319.41 g/mol, XLogP of 6.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 59838794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).