5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine

C31H21N3O — CID 164824506

IUPAC5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc2c(n1)nc(-c1cccc3c1oc1cc(-c4ccccc4)ccc13)n2-c1ccccc1
InChIInChI=1S/C31H21N3O/c1-20-15-18-27-30(32-20)33-31(34(27)23-11-6-3-7-12-23)26-14-8-13-25-24-17-16-22(19-28(24)35-29(25)26)21-9-4-2-5-10-21/h2-19H,1H3
InChIKeyJTCVNOOWOALUJW-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.96
Rot. Bonds3

About 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine

5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine (PubChem CID 164824506) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
PubChem CID164824506
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc2c(n1)nc(-c1cccc3c1oc1cc(-c4ccccc4)ccc13)n2-c1ccccc1
InChIInChI=1S/C31H21N3O/c1-20-15-18-27-30(32-20)33-31(34(27)23-11-6-3-7-12-23)26-14-8-13-25-24-17-16-22(19-28(24)35-29(25)26)21-9-4-2-5-10-21/h2-19H,1H3
InChIKeyJTCVNOOWOALUJW-UHFFFAOYSA-N
XLogP7.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
[6-(1,5-diphenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylgermane
CID 164825640
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 122501692
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
2-methyl-8-(1-phenylimidazo[4,5-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 164825326
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
1-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 159616127
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826115

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine (CID 164824506) is 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine is Cc1ccc2c(n1)nc(-c1cccc3c1oc1cc(-c4ccccc4)ccc13)n2-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is JTCVNOOWOALUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c1-20-15-18-27-30(32-20)33-31(34(27)23-11-6-3-7-12-23)26-14-8-13-25-24-17-16-22(19-28(24)35-29(25)26)21-9-4-2-5-10-21/h2-19H,1H3.
What are the key properties of 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine?
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 451.53 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 164824506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).