2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine

C51H31NO — CID 146396782

IUPAC2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)cc5c34)c2)cc1
InChIInChI=1S/C51H31NO/c1-3-11-32(12-4-1)37-30-46(35-13-5-2-6-14-35)52-47(31-37)44-19-10-20-49-51(44)45-29-36(25-28-48(45)53-49)33-21-23-34(24-22-33)38-26-27-43-40-16-8-7-15-39(40)42-18-9-17-41(38)50(42)43/h1-31H
InChIKeyCGUFLHRWSDMMKR-UHFFFAOYSA-N
MW673.82 g/mol
LogP14.12
Rot. Bonds5

About 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine

2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine (PubChem CID 146396782) has the molecular formula C51H31NO and a molecular weight of 673.82 g/mol. Its IUPAC name is 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
PubChem CID146396782
Molecular FormulaC51H31NO
Molecular Weight673.82 g/mol
Exact Mass673.24
IUPAC Name2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)cc5c34)c2)cc1
InChIInChI=1S/C51H31NO/c1-3-11-32(12-4-1)37-30-46(35-13-5-2-6-14-35)52-47(31-37)44-19-10-20-49-51(44)45-29-36(25-28-48(45)53-49)33-21-23-34(24-22-33)38-26-27-43-40-16-8-7-15-39(40)42-18-9-17-41(38)50(42)43/h1-31H
InChIKeyCGUFLHRWSDMMKR-UHFFFAOYSA-N
XLogP14.12
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyrimidine
CID 146396702
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
CID 142515561
2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 158170938
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 159717872
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine?
The IUPAC name of 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine (CID 146396782) is 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)cc5c34)c2)cc1.
What is the InChIKey of 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine?
The InChIKey is CGUFLHRWSDMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO/c1-3-11-32(12-4-1)37-30-46(35-13-5-2-6-14-35)52-47(31-37)44-19-10-20-49-51(44)45-29-36(25-28-48(45)53-49)33-21-23-34(24-22-33)38-26-27-43-40-16-8-7-15-39(40)42-18-9-17-41(38)50(42)43/h1-31H.
What are the key properties of 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine?
2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine has a molecular weight of 673.82 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-4,6-diphenylpyridine is sourced from PubChem (CID 146396782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).