3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine

C33H21NO — CID 171760954

IUPAC3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(-c5cccnc5)c5ccccc45)cccc23)cc1
InChIInChI=1S/C33H21NO/c1-2-9-22(10-3-1)25-14-6-16-30-31-17-7-15-29(33(31)35-32(25)30)28-19-18-24(23-11-8-20-34-21-23)26-12-4-5-13-27(26)28/h1-21H
InChIKeyROAWTADJNUUGKO-UHFFFAOYSA-N
MW447.54 g/mol
LogP9.14
Rot. Bonds3

About 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine

3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine (PubChem CID 171760954) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
PubChem CID171760954
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Name3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(-c5cccnc5)c5ccccc45)cccc23)cc1
InChIInChI=1S/C33H21NO/c1-2-9-22(10-3-1)25-14-6-16-30-31-17-7-15-29(33(31)35-32(25)30)28-19-18-24(23-11-8-20-34-21-23)26-12-4-5-13-27(26)28/h1-21H
InChIKeyROAWTADJNUUGKO-UHFFFAOYSA-N
XLogP9.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173
2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 175610988
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine?
The IUPAC name of 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine (CID 171760954) is 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine.
What is the SMILES notation for 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine?
The canonical SMILES for 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine is c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5cccnc5)c5ccccc45)cccc23)cc1.
What is the InChIKey of 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine?
The InChIKey is ROAWTADJNUUGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO/c1-2-9-22(10-3-1)25-14-6-16-30-31-17-7-15-29(33(31)35-32(25)30)28-19-18-24(23-11-8-20-34-21-23)26-12-4-5-13-27(26)28/h1-21H.
What are the key properties of 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine?
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine has a molecular weight of 447.54 g/mol, XLogP of 9.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 171760954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).