14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene

C24H23N — CID 162657786

IUPAC14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
SMILESc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1
InChIInChI=1S/C24H23N/c1-2-7-16(8-3-1)24-22-18-11-10-17(14-18)21(22)23-19-9-5-4-6-15(19)12-13-20(23)25-24/h1-9,12-13,17-18,21-22,24-25H,10-11,14H2
InChIKeySMZFFNHHKVSNRM-UHFFFAOYSA-N
MW325.46 g/mol
LogP6.14
Rot. Bonds1

About 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene

14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene (PubChem CID 162657786) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene.

Molecular Properties

Compound Name14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
PubChem CID162657786
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
SMILESc1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1
InChIInChI=1S/C24H23N/c1-2-7-16(8-3-1)24-22-18-11-10-17(14-18)21(22)23-19-9-5-4-6-15(19)12-13-20(23)25-24/h1-9,12-13,17-18,21-22,24-25H,10-11,14H2
InChIKeySMZFFNHHKVSNRM-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The IUPAC name of 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene (CID 162657786) is 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene.
What is the SMILES notation for 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The canonical SMILES for 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene is c1ccc(C2Nc3ccc4ccccc4c3C3C4CCC(C4)C23)cc1.
What is the InChIKey of 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
The InChIKey is SMZFFNHHKVSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-2-7-16(8-3-1)24-22-18-11-10-17(14-18)21(22)23-19-9-5-4-6-15(19)12-13-20(23)25-24/h1-9,12-13,17-18,21-22,24-25H,10-11,14H2.
What are the key properties of 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene?
14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene has a molecular weight of 325.46 g/mol, XLogP of 6.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene is sourced from PubChem (CID 162657786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).