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

C40H33N3O — CID 164824560

IUPAC2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2ncc3ccccc3c21
InChIInChI=1S/C40H33N3O/c1-24(2)33-21-28(26-13-6-5-7-14-26)22-34(25(3)4)36(33)43-37-29-16-9-8-15-27(29)23-41-39(37)42-40(43)32-19-12-18-31-30-17-10-11-20-35(30)44-38(31)32/h5-25H,1-4H3
InChIKeyKQRGDWPUFDVIIW-UHFFFAOYSA-N
MW571.72 g/mol
LogP11.05
Rot. Bonds5

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

2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline (PubChem CID 164824560) has the molecular formula C40H33N3O and a molecular weight of 571.72 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
PubChem CID164824560
Molecular FormulaC40H33N3O
Molecular Weight571.72 g/mol
Exact Mass571.26
IUPAC Name2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2ncc3ccccc3c21
InChIInChI=1S/C40H33N3O/c1-24(2)33-21-28(26-13-6-5-7-14-26)22-34(25(3)4)36(33)43-37-29-16-9-8-15-27(29)23-41-39(37)42-40(43)32-19-12-18-31-30-17-10-11-20-35(30)44-38(31)32/h5-25H,1-4H3
InChIKeyKQRGDWPUFDVIIW-UHFFFAOYSA-N
XLogP11.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
CID 164825397
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-phenylimidazo[4,5-c]isoquinoline
CID 164824328
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-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-h]quinazoline
CID 176817297
2-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-5-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624399
6-tert-butyl-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)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624322
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
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
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
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline?
The IUPAC name of 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline (CID 164824560) is 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline?
The canonical SMILES for 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2ccccc23)nc2ncc3ccccc3c21.
What is the InChIKey of 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline?
The InChIKey is KQRGDWPUFDVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O/c1-24(2)33-21-28(26-13-6-5-7-14-26)22-34(25(3)4)36(33)43-37-29-16-9-8-15-27(29)23-41-39(37)42-40(43)32-19-12-18-31-30-17-10-11-20-35(30)44-38(31)32/h5-25H,1-4H3.
What are the key properties of 2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline?
2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline has a molecular weight of 571.72 g/mol, XLogP of 11.05, 5 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-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline is sourced from PubChem (CID 164824560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).