2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine

C29H21NO — CID 176779607

IUPAC2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
SMILESCc1ccc2cc(-c3cc(-c4cccc5c4oc4ccccc45)ncc3C)ccc2c1
InChIInChI=1S/C29H21NO/c1-18-10-11-21-15-22(13-12-20(21)14-18)26-16-27(30-17-19(26)2)25-8-5-7-24-23-6-3-4-9-28(23)31-29(24)25/h3-17H,1-2H3
InChIKeyRKAPYSMCPQIRSH-UHFFFAOYSA-N
MW399.49 g/mol
LogP8.09
Rot. Bonds2

About 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine

2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine (PubChem CID 176779607) has the molecular formula C29H21NO and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
PubChem CID176779607
Molecular FormulaC29H21NO
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
SMILESCc1ccc2cc(-c3cc(-c4cccc5c4oc4ccccc45)ncc3C)ccc2c1
InChIInChI=1S/C29H21NO/c1-18-10-11-21-15-22(13-12-20(21)14-18)26-16-27(30-17-19(26)2)25-8-5-7-24-23-6-3-4-9-28(23)31-29(24)25/h3-17H,1-2H3
InChIKeyRKAPYSMCPQIRSH-UHFFFAOYSA-N
XLogP8.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine
CID 167349375
3,4-dideuterio-2-dibenzofuran-4-yl-5-methylpyridine
CID 154588250
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine (CID 176779607) is 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine is Cc1ccc2cc(-c3cc(-c4cccc5c4oc4ccccc45)ncc3C)ccc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine?
The InChIKey is RKAPYSMCPQIRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21NO/c1-18-10-11-21-15-22(13-12-20(21)14-18)26-16-27(30-17-19(26)2)25-8-5-7-24-23-6-3-4-9-28(23)31-29(24)25/h3-17H,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine?
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine has a molecular weight of 399.49 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine is sourced from PubChem (CID 176779607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).