3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline

C52H41N3O — CID 164826222

IUPAC3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2cc3ccccc3nc21
InChIInChI=1S/C52H41N3O/c1-32(2)44-28-40(35-16-9-6-10-17-35)29-45(33(3)4)49(44)55-51(54-47-30-39-18-11-12-21-46(39)53-52(47)55)43-20-13-19-42-41-27-26-38(31-48(41)56-50(42)43)37-24-22-36(23-25-37)34-14-7-5-8-15-34/h5-33H,1-4H3
InChIKeyKZXWYYSQRZIYGD-UHFFFAOYSA-N
MW723.92 g/mol
LogP14.39
Rot. Bonds7

About 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline

3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline (PubChem CID 164826222) has the molecular formula C52H41N3O and a molecular weight of 723.92 g/mol. Its IUPAC name is 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline.

Molecular Properties

Compound Name3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
PubChem CID164826222
Molecular FormulaC52H41N3O
Molecular Weight723.92 g/mol
Exact Mass723.32
IUPAC Name3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2cc3ccccc3nc21
InChIInChI=1S/C52H41N3O/c1-32(2)44-28-40(35-16-9-6-10-17-35)29-45(33(3)4)49(44)55-51(54-47-30-39-18-11-12-21-46(39)53-52(47)55)43-20-13-19-42-41-27-26-38(31-48(41)56-50(42)43)37-24-22-36(23-25-37)34-14-7-5-8-15-34/h5-33H,1-4H3
InChIKeyKZXWYYSQRZIYGD-UHFFFAOYSA-N
XLogP14.39
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
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
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
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-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
1-[4-(1,1-dimethyl-3,4-dihydro-2H-1-benzogermin-6-yl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 168743639
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 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline?
The IUPAC name of 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline (CID 164826222) is 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline.
What is the SMILES notation for 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline?
The canonical SMILES for 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccc(-c5ccccc5)cc4)ccc23)nc2cc3ccccc3nc21.
What is the InChIKey of 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline?
The InChIKey is KZXWYYSQRZIYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N3O/c1-32(2)44-28-40(35-16-9-6-10-17-35)29-45(33(3)4)49(44)55-51(54-47-30-39-18-11-12-21-46(39)53-52(47)55)43-20-13-19-42-41-27-26-38(31-48(41)56-50(42)43)37-24-22-36(23-25-37)34-14-7-5-8-15-34/h5-33H,1-4H3.
What are the key properties of 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline?
3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline has a molecular weight of 723.92 g/mol, XLogP of 14.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]quinoline is sourced from PubChem (CID 164826222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).