3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine

C28H19NO — CID 172506694

IUPAC3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
SMILESCc1cccnc1-c1cccc(-c2cccc3c2ccc2oc4ccccc4c23)c1
InChIInChI=1S/C28H19NO/c1-18-7-6-16-29-28(18)20-9-4-8-19(17-20)21-11-5-12-23-22(21)14-15-26-27(23)24-10-2-3-13-25(24)30-26/h2-17H,1H3
InChIKeySOMNTSUVQOJSCP-UHFFFAOYSA-N
MW385.47 g/mol
LogP7.78
Rot. Bonds2

About 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine

3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine (PubChem CID 172506694) has the molecular formula C28H19NO and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
PubChem CID172506694
Molecular FormulaC28H19NO
Molecular Weight385.47 g/mol
Exact Mass385.15
IUPAC Name3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine
SMILESCc1cccnc1-c1cccc(-c2cccc3c2ccc2oc4ccccc4c23)c1
InChIInChI=1S/C28H19NO/c1-18-7-6-16-29-28(18)20-9-4-8-19(17-20)21-11-5-12-23-22(21)14-15-26-27(23)24-10-2-3-13-25(24)30-26/h2-17H,1H3
InChIKeySOMNTSUVQOJSCP-UHFFFAOYSA-N
XLogP7.78
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(3-phenylphenyl)pyridine
CID 58975820
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-(3-dibenzofuran-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168740212
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163589467
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-9-oxa-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 130232596
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[3-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430151
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine?
The IUPAC name of 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine (CID 172506694) is 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine.
What is the SMILES notation for 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine?
The canonical SMILES for 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine is Cc1cccnc1-c1cccc(-c2cccc3c2ccc2oc4ccccc4c23)c1.
What is the InChIKey of 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine?
The InChIKey is SOMNTSUVQOJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO/c1-18-7-6-16-29-28(18)20-9-4-8-19(17-20)21-11-5-12-23-22(21)14-15-26-27(23)24-10-2-3-13-25(24)30-26/h2-17H,1H3.
What are the key properties of 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine?
3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine has a molecular weight of 385.47 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-naphtho[2,1-b][1]benzofuran-4-ylphenyl)pyridine is sourced from PubChem (CID 172506694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).