4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine

C48H28N4O — CID 168785477

IUPAC4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ncc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C48H28N4O/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)47-50-46(31-14-5-2-6-15-31)51-48(52-47)44-43-39-18-9-10-21-41(39)53-45(43)40(28-49-44)35-26-27-38-34-17-8-7-16-33(34)36-19-11-20-37(35)42(36)38/h1-28H
InChIKeyWYOROEJLXWSYRU-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.30
Rot. Bonds5

About 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine

4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 168785477) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID168785477
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ncc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C48H28N4O/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)47-50-46(31-14-5-2-6-15-31)51-48(52-47)44-43-39-18-9-10-21-41(39)53-45(43)40(28-49-44)35-26-27-38-34-17-8-7-16-33(34)36-19-11-20-37(35)42(36)38/h1-28H
InChIKeyWYOROEJLXWSYRU-UHFFFAOYSA-N
XLogP12.30
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168785610
1-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
CID 168784982
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 165090138
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168785232
4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785590

Frequently Asked Questions

What is the IUPAC name of 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine (CID 168785477) is 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ncc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is WYOROEJLXWSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)47-50-46(31-14-5-2-6-15-31)51-48(52-47)44-43-39-18-9-10-21-41(39)53-45(43)40(28-49-44)35-26-27-38-34-17-8-7-16-33(34)36-19-11-20-37(35)42(36)38/h1-28H.
What are the key properties of 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine?
4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 676.78 g/mol, XLogP of 12.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoranthen-3-yl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 168785477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).