2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline

C35H31N3O — CID 164825397

IUPAC2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
SMILESCc1nc2nc(-c3cccc4c3oc3ccccc34)n(-c3c(C(C)C)cccc3C(C)C)c2c2ccccc12
InChIInChI=1S/C35H31N3O/c1-20(2)23-15-10-16-24(21(3)4)31(23)38-32-27-14-7-6-12-25(27)22(5)36-34(32)37-35(38)29-18-11-17-28-26-13-8-9-19-30(26)39-33(28)29/h6-21H,1-5H3
InChIKeyPJVUWWZQZGEXCF-UHFFFAOYSA-N
MW509.65 g/mol
LogP9.70
Rot. Bonds4

About 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline

2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline (PubChem CID 164825397) has the molecular formula C35H31N3O and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
PubChem CID164825397
Molecular FormulaC35H31N3O
Molecular Weight509.65 g/mol
Exact Mass509.25
IUPAC Name2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
SMILESCc1nc2nc(-c3cccc4c3oc3ccccc34)n(-c3c(C(C)C)cccc3C(C)C)c2c2ccccc12
InChIInChI=1S/C35H31N3O/c1-20(2)23-15-10-16-24(21(3)4)31(23)38-32-27-14-7-6-12-25(27)22(5)36-34(32)37-35(38)29-18-11-17-28-26-13-8-9-19-30(26)39-33(28)29/h6-21H,1-5H3
InChIKeyPJVUWWZQZGEXCF-UHFFFAOYSA-N
XLogP9.70
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]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

2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
CID 164824560
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
CID 162776925
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
15-dibenzofuran-4-yl-8-methyl-5-phenyl-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 167249512
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline?
The IUPAC name of 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline (CID 164825397) is 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline?
The canonical SMILES for 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline is Cc1nc2nc(-c3cccc4c3oc3ccccc34)n(-c3c(C(C)C)cccc3C(C)C)c2c2ccccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline?
The InChIKey is PJVUWWZQZGEXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O/c1-20(2)23-15-10-16-24(21(3)4)31(23)38-32-27-14-7-6-12-25(27)22(5)36-34(32)37-35(38)29-18-11-17-28-26-13-8-9-19-30(26)39-33(28)29/h6-21H,1-5H3.
What are the key properties of 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline?
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline has a molecular weight of 509.65 g/mol, XLogP of 9.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline is sourced from PubChem (CID 164825397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).