3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline

C28H19NO — CID 162707832

IUPAC3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline
SMILES[2H]C([2H])(c1ccccc1)c1ccc2oc3ccc(-c4cc5ccccc5cn4)cc3c2c1
InChIInChI=1S/C28H19NO/c1-2-6-19(7-3-1)14-20-10-12-27-24(15-20)25-16-22(11-13-28(25)30-27)26-17-21-8-4-5-9-23(21)18-29-26/h1-13,15-18H,14H2/i14D2
InChIKeyOTTKAODZQQVHLG-FNHLFAINSA-N
MW387.48 g/mol
LogP7.39
Rot. Bonds3

About 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline

3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline (PubChem CID 162707832) has the molecular formula C28H19NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline.

Molecular Properties

Compound Name3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline
PubChem CID162707832
Molecular FormulaC28H19NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline
SMILES[2H]C([2H])(c1ccccc1)c1ccc2oc3ccc(-c4cc5ccccc5cn4)cc3c2c1
InChIInChI=1S/C28H19NO/c1-2-6-19(7-3-1)14-20-10-12-27-24(15-20)25-16-22(11-13-28(25)30-27)26-17-21-8-4-5-9-23(21)18-29-26/h1-13,15-18H,14H2/i14D2
InChIKeyOTTKAODZQQVHLG-FNHLFAINSA-N
XLogP7.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline 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

5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
6-[4-[dideuterio(phenyl)methyl]-2-pyridinyl]-1-methyl-3-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 163648243
4-[cyclopentyl(dideuterio)methyl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 177279412
6-ethyl-2-isoquinolin-3-ylchromen-4-one
CID 67197083
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
5-bromo-2-dibenzofuran-2-yl-4-phenylpyridine
CID 121367236
4-[dideuterio(phenyl)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707434
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-naphtho[2,1-b][1]benzofuran-10-ylpyridine
CID 162707526
3-phenanthren-3-ylbenzo[h]isoquinoline
CID 59470233

Frequently Asked Questions

What is the IUPAC name of 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline?
The IUPAC name of 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline (CID 162707832) is 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline.
What is the SMILES notation for 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline?
The canonical SMILES for 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline is [2H]C([2H])(c1ccccc1)c1ccc2oc3ccc(-c4cc5ccccc5cn4)cc3c2c1.
What is the InChIKey of 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline?
The InChIKey is OTTKAODZQQVHLG-FNHLFAINSA-N. The full InChI is InChI=1S/C28H19NO/c1-2-6-19(7-3-1)14-20-10-12-27-24(15-20)25-16-22(11-13-28(25)30-27)26-17-21-8-4-5-9-23(21)18-29-26/h1-13,15-18H,14H2/i14D2.
What are the key properties of 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline?
3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline has a molecular weight of 387.48 g/mol, XLogP of 7.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[dideuterio(phenyl)methyl]dibenzofuran-2-yl]isoquinoline is sourced from PubChem (CID 162707832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).