6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C24H22N4O — CID 11280507

IUPAC6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1
InChIInChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2
InChIKeySBWJTKFIQNCGTE-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.13
Rot. Bonds4

About 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11280507) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11280507
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1
InChIInChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2
InChIKeySBWJTKFIQNCGTE-UHFFFAOYSA-N
XLogP5.13
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene 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 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11280507) is 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is c1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1.
What is the InChIKey of 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is SBWJTKFIQNCGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-3-7-16(8-4-1)15-29-24-21-18-13-11-17(12-14-18)20(21)23-26-25-22(28(23)27-24)19-9-5-2-6-10-19/h1-10,17-18H,11-15H2.
What are the key properties of 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 382.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9-phenylmethoxy-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 11280507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).