6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine

C25H19N5O — CID 164825846

IUPAC6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C25H19N5O/c1-15(2)16-11-12-18-19-9-6-10-20(22(19)31-21(18)13-16)24-28-23-25(29-27-14-26-23)30(24)17-7-4-3-5-8-17/h3-15H,1-2H3/i15D
InChIKeyCBVQHFWQWGWGKL-RWFJLFJASA-N
MW406.47 g/mol
LogP5.90
Rot. Bonds3

About 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine

6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine (PubChem CID 164825846) has the molecular formula C25H19N5O and a molecular weight of 406.47 g/mol. Its IUPAC name is 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
PubChem CID164825846
Molecular FormulaC25H19N5O
Molecular Weight406.47 g/mol
Exact Mass406.17
IUPAC Name6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
SMILES[2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)cccc12
InChIInChI=1S/C25H19N5O/c1-15(2)16-11-12-18-19-9-6-10-20(22(19)31-21(18)13-16)24-28-23-25(29-27-14-26-23)30(24)17-7-4-3-5-8-17/h3-15H,1-2H3/i15D
InChIKeyCBVQHFWQWGWGKL-RWFJLFJASA-N
XLogP5.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-3-phenylimidazo[4,5-c]isoquinoline
CID 164824655
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-phenylimidazo[4,5-c]isoquinoline
CID 164824328
7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
CID 164824369
5-[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
CID 164825917
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-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164824506
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026

Frequently Asked Questions

What is the IUPAC name of 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine?
The IUPAC name of 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine (CID 164825846) is 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine?
The canonical SMILES for 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine is [2H]C(C)(C)c1ccc2c(c1)oc1c(-c3nc4ncnnc4n3-c3ccccc3)cccc12.
What is the InChIKey of 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine?
The InChIKey is CBVQHFWQWGWGKL-RWFJLFJASA-N. The full InChI is InChI=1S/C25H19N5O/c1-15(2)16-11-12-18-19-9-6-10-20(22(19)31-21(18)13-16)24-28-23-25(29-27-14-26-23)30(24)17-7-4-3-5-8-17/h3-15H,1-2H3/i15D.
What are the key properties of 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine?
6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine has a molecular weight of 406.47 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 164825846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).