4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C24H23N3O3 — CID 58067155

IUPAC4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2CC2N1CCCN2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c28-19-12-15-25-16-20-26(13-7-14-27(20)24(30)22(25)23(19)29)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,15,20-21,29H,7,13-14,16H2
InChIKeyFJBJPTNTSVKTPC-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.83
Rot. Bonds3

About 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 58067155) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID58067155
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)ccn2CC2N1CCCN2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O3/c28-19-12-15-25-16-20-26(13-7-14-27(20)24(30)22(25)23(19)29)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,15,20-21,29H,7,13-14,16H2
InChIKeyFJBJPTNTSVKTPC-UHFFFAOYSA-N
XLogP2.83
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-benzhydryl-10-hydroxy-1,7,13-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 134306672
(2S,3R)-2-[(2,6-difluorophenyl)-phenylmethyl]-10-hydroxy-1,7,13-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 134282043
4-benzhydryl-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 77298139
11-hydroxy-4-[(4-methoxyphenyl)methyl]-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 90799930
(2S,3R)-2-[(R)-(2,4-difluorophenyl)-phenylmethyl]-10-hydroxy-1,7,13-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 134281922
1-benzhydrylaziridin-2-ol
CID 22253575
(2S,3S)-2-benzyl-11-hydroxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 70368636
1-benzhydryl-6-hydroxy-3-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-b][1,2,5]triazepine-5,7-dione;hydrochloride
CID 175073152
1'-benzhydryl-3'-benzyl-5'-hydroxyspiro[cyclopentane-1,2'-pyrido[2,1-f][1,2,4]triazine]-4',6'-dione
CID 162372295
2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione
CID 132529028
(3R)-2-[bis(3-fluorophenyl)methyl]-10-hydroxy-1,7,13-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 134303412
8-benzhydryl-13-hydroxy-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
CID 175127114

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 58067155) is 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is O=C1c2c(O)c(=O)ccn2CC2N1CCCN2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is FJBJPTNTSVKTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-19-12-15-25-16-20-26(13-7-14-27(20)24(30)22(25)23(19)29)21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,15,20-21,29H,7,13-14,16H2.
What are the key properties of 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 401.47 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-11-hydroxy-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 58067155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).