14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene

C24H19N — CID 130464664

IUPAC14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H19N/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/h1-8,10-16H,9,17H2
InChIKeyFCPPKWBWJYTDQL-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.57
Rot. Bonds1

About 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene

14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene (PubChem CID 130464664) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene.

Molecular Properties

Compound Name14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene
PubChem CID130464664
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H19N/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/h1-8,10-16H,9,17H2
InChIKeyFCPPKWBWJYTDQL-UHFFFAOYSA-N
XLogP6.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.57
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(15),2,4,6,8,10,12,18-octaene?
The IUPAC name of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene (CID 130464664) is 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene.
What is the SMILES notation for 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene?
The canonical SMILES for 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene is C1=CC2=C(CC1)N(c1ccccc1)c1ccccc1-c1ccccc12.
What is the InChIKey of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene?
The InChIKey is FCPPKWBWJYTDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/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/h1-8,10-16H,9,17H2.
What are the key properties of 14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene?
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,18-octaene has a molecular weight of 321.42 g/mol, XLogP of 6.57, 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(15),2,4,6,8,10,12,18-octaene is sourced from PubChem (CID 130464664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).