2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline

C31H23N3O — CID 164824655

IUPAC2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C31H23N3O/c1-19(2)20-15-16-24-25-13-8-14-26(29(25)35-27(24)17-20)30-33-28-23-12-7-6-9-21(23)18-32-31(28)34(30)22-10-4-3-5-11-22/h3-19H,1-2H3/i19D
InChIKeyWKWNJZLDJOZFDJ-YUIGOLOMSA-N
MW454.55 g/mol
LogP8.26
Rot. Bonds3

About 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline

2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline (PubChem CID 164824655) has the molecular formula C31H23N3O and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline.

Molecular Properties

Compound Name2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
PubChem CID164824655
Molecular FormulaC31H23N3O
Molecular Weight454.55 g/mol
Exact Mass454.19
IUPAC Name2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C31H23N3O/c1-19(2)20-15-16-24-25-13-8-14-26(29(25)35-27(24)17-20)30-33-28-23-12-7-6-9-21(23)18-32-31(28)34(30)22-10-4-3-5-11-22/h3-19H,1-2H3/i19D
InChIKeyWKWNJZLDJOZFDJ-YUIGOLOMSA-N
XLogP8.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-phenylimidazo[4,5-c]isoquinoline
CID 164824328
6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
CID 164825846
2-naphtho[1,2-b][1]benzofuran-10-yl-3-phenylimidazo[4,5-c]isoquinoline
CID 164825395
2-methyl-8-(3-phenylimidazo[4,5-c]isoquinolin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825035
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
CID 164826973
2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
2-(7-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164827019
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline?
The IUPAC name of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline (CID 164824655) is 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline.
What is the SMILES notation for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline?
The canonical SMILES for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline is [2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4c5ccccc5cnc4n3-c3ccccc3)cccc12.
What is the InChIKey of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline?
The InChIKey is WKWNJZLDJOZFDJ-YUIGOLOMSA-N. The full InChI is InChI=1S/C31H23N3O/c1-19(2)20-15-16-24-25-13-8-14-26(29(25)35-27(24)17-20)30-33-28-23-12-7-6-9-21(23)18-32-31(28)34(30)22-10-4-3-5-11-22/h3-19H,1-2H3/i19D.
What are the key properties of 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline?
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline has a molecular weight of 454.55 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline is sourced from PubChem (CID 164824655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).