2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C33H22N2O — CID 176778940

IUPAC2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccn3)cccc12
InChIInChI=1S/C33H22N2O/c1-21-14-15-29-28-12-7-13-30(32(28)36-33(29)35-21)31-20-23(18-19-34-31)25-17-16-24(22-8-3-2-4-9-22)26-10-5-6-11-27(25)26/h2-20H,1H3
InChIKeyUFBQMSLLOXXGTR-UHFFFAOYSA-N
MW462.55 g/mol
LogP8.84
Rot. Bonds3

About 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 176778940) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID176778940
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Name2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccn3)cccc12
InChIInChI=1S/C33H22N2O/c1-21-14-15-29-28-12-7-13-30(32(28)36-33(29)35-21)31-20-23(18-19-34-31)25-17-16-24(22-8-3-2-4-9-22)26-10-5-6-11-27(25)26/h2-20H,1H3
InChIKeyUFBQMSLLOXXGTR-UHFFFAOYSA-N
XLogP8.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2-methyl-8-[4-(5-methylquinolin-6-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778917
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
8-[4-(2,3-difluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121594
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2-methyl-8-[5-methyl-4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779482
8-[4-[4,6-di(propan-2-yl)-2-pyridinyl]-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 170365401
8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine;iridium;2-phenylpyridine
CID 162503281
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
2-methyl-8-(2-phenylfuro[3,2-b]pyridin-5-yl)-[1]benzofuro[2,3-b]pyridine
CID 155629013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 176778940) is 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccn3)cccc12.
What is the InChIKey of 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is UFBQMSLLOXXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c1-21-14-15-29-28-12-7-13-30(32(28)36-33(29)35-21)31-20-23(18-19-34-31)25-17-16-24(22-8-3-2-4-9-22)26-10-5-6-11-27(25)26/h2-20H,1H3.
What are the key properties of 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 462.55 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 176778940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).