8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one

C23H19N3O2 — CID 175127114

IUPAC8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
SMILESO=c1ccn2c(c1O)-c1nccn1CC2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2
InChIKeyPNSZYGZIWVOPBV-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.80
Rot. Bonds3

About 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one

8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one (PubChem CID 175127114) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one.

Molecular Properties

Compound Name8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
PubChem CID175127114
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
SMILESO=c1ccn2c(c1O)-c1nccn1CC2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2
InChIKeyPNSZYGZIWVOPBV-UHFFFAOYSA-N
XLogP3.80
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one?
The IUPAC name of 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one (CID 175127114) is 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one.
What is the SMILES notation for 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one?
The canonical SMILES for 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one is O=c1ccn2c(c1O)-c1nccn1CC2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one?
The InChIKey is PNSZYGZIWVOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2.
What are the key properties of 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one?
8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one has a molecular weight of 369.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one is sourced from PubChem (CID 175127114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).