3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine

C46H30N2O — CID 171761270

IUPAC3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccc(-c8cccnc8)cc7)cc6)cccc45)cc3)cc2)c1
InChIInChI=1S/C46H30N2O/c1-7-41(37-23-19-33(20-24-37)31-11-15-35(16-12-31)39-5-3-27-47-29-39)45-43(9-1)44-10-2-8-42(46(44)49-45)38-25-21-34(22-26-38)32-13-17-36(18-14-32)40-6-4-28-48-30-40/h1-30H
InChIKeySQQSMUIUISBJRT-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.38
Rot. Bonds6

About 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine

3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine (PubChem CID 171761270) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
PubChem CID171761270
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC Name3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccc(-c8cccnc8)cc7)cc6)cccc45)cc3)cc2)c1
InChIInChI=1S/C46H30N2O/c1-7-41(37-23-19-33(20-24-37)31-11-15-35(16-12-31)39-5-3-27-47-29-39)45-43(9-1)44-10-2-8-42(46(44)49-45)38-25-21-34(22-26-38)32-13-17-36(18-14-32)40-6-4-28-48-30-40/h1-30H
InChIKeySQQSMUIUISBJRT-UHFFFAOYSA-N
XLogP12.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine with MolForge

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Related Compounds

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-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 171761124
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
3-[7-[4-(6-isocyanodibenzofuran-4-yl)phenyl]pyren-2-yl]pyridine
CID 123783805

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine (CID 171761270) is 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine is c1cncc(-c2ccc(-c3ccc(-c4cccc5c4oc4c(-c6ccc(-c7ccc(-c8cccnc8)cc7)cc6)cccc45)cc3)cc2)c1.
What is the InChIKey of 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine?
The InChIKey is SQQSMUIUISBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-7-41(37-23-19-33(20-24-37)31-11-15-35(16-12-31)39-5-3-27-47-29-39)45-43(9-1)44-10-2-8-42(46(44)49-45)38-25-21-34(22-26-38)32-13-17-36(18-14-32)40-6-4-28-48-30-40/h1-30H.
What are the key properties of 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine?
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine has a molecular weight of 626.76 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine is sourced from PubChem (CID 171761270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).