7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine

C35H31N5O — CID 164824369

IUPAC7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
SMILESCc1cccc(-c2ccc3c(c2)oc2c(-c4nc5ncnnc5n4-c4c(C(C)C)cccc4C(C)C)cccc23)c1
InChIInChI=1S/C35H31N5O/c1-20(2)25-11-7-12-26(21(3)4)31(25)40-34(38-33-35(40)39-37-19-36-33)29-14-8-13-28-27-16-15-24(18-30(27)41-32(28)29)23-10-6-9-22(5)17-23/h6-21H,1-5H3
InChIKeyGRSXBZROSQUTGM-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.00
Rot. Bonds5

About 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine

7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine (PubChem CID 164824369) has the molecular formula C35H31N5O and a molecular weight of 537.67 g/mol. Its IUPAC name is 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
PubChem CID164824369
Molecular FormulaC35H31N5O
Molecular Weight537.67 g/mol
Exact Mass537.25
IUPAC Name7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine
SMILESCc1cccc(-c2ccc3c(c2)oc2c(-c4nc5ncnnc5n4-c4c(C(C)C)cccc4C(C)C)cccc23)c1
InChIInChI=1S/C35H31N5O/c1-20(2)25-11-7-12-26(21(3)4)31(25)40-34(38-33-35(40)39-37-19-36-33)29-14-8-13-28-27-16-15-24(18-30(27)41-32(28)29)23-10-6-9-22(5)17-23/h6-21H,1-5H3
InChIKeyGRSXBZROSQUTGM-UHFFFAOYSA-N
XLogP9.00
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-7-phenylimidazo[4,5-e][1,2,4]triazine
CID 164825846
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
CID 164826222
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
CID 164825397
6-(3H-dibenzofuran-3-id-4-yl)-7-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-e][1,2,4]triazine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 164826327
4-(5-tert-butyl-2-pyridinyl)-3-fluorobenzene-5-ide-1-carboxylic acid;5-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)-3H-dibenzofuran-3-id-4-yl]imidazo[4,5-e][1,2,4]triazine;iridium
CID 164826633
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382

Frequently Asked Questions

What is the IUPAC name of 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The IUPAC name of 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) is 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The canonical SMILES for 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine is Cc1cccc(-c2ccc3c(c2)oc2c(-c4nc5ncnnc5n4-c4c(C(C)C)cccc4C(C)C)cccc23)c1.
What is the InChIKey of 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
The InChIKey is GRSXBZROSQUTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N5O/c1-20(2)25-11-7-12-26(21(3)4)31(25)40-34(38-33-35(40)39-37-19-36-33)29-14-8-13-28-27-16-15-24(18-30(27)41-32(28)29)23-10-6-9-22(5)17-23/h6-21H,1-5H3.
What are the key properties of 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine?
7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine has a molecular weight of 537.67 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-di(propan-2-yl)phenyl]-6-[7-(3-methylphenyl)dibenzofuran-4-yl]imidazo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 164824369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).