2-fluoranthen-3-yl-4-phenylpyrimidine

C26H16N2 — CID 121287536

IUPAC2-fluoranthen-3-yl-4-phenylpyrimidine
SMILESc1ccc(-c2ccnc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C26H16N2/c1-2-7-17(8-3-1)24-15-16-27-26(28-24)23-14-13-22-19-10-5-4-9-18(19)20-11-6-12-21(23)25(20)22/h1-16H
InChIKeyNYCLYPYABGUCJA-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.61
Rot. Bonds2

About 2-fluoranthen-3-yl-4-phenylpyrimidine

2-fluoranthen-3-yl-4-phenylpyrimidine (PubChem CID 121287536) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-4-phenylpyrimidine.

Molecular Properties

Compound Name2-fluoranthen-3-yl-4-phenylpyrimidine
PubChem CID121287536
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name2-fluoranthen-3-yl-4-phenylpyrimidine
SMILESc1ccc(-c2ccnc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C26H16N2/c1-2-7-17(8-3-1)24-15-16-27-26(28-24)23-14-13-22-19-10-5-4-9-18(19)20-11-6-12-21(23)25(20)22/h1-16H
InChIKeyNYCLYPYABGUCJA-UHFFFAOYSA-N
XLogP6.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
2,4-diphenylpyrimidine;triphenylene
CID 175536318
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 130263791
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)pyrimidine
CID 155079114
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-4-phenylpyrimidine?
The IUPAC name of 2-fluoranthen-3-yl-4-phenylpyrimidine (CID 121287536) is 2-fluoranthen-3-yl-4-phenylpyrimidine.
What is the SMILES notation for 2-fluoranthen-3-yl-4-phenylpyrimidine?
The canonical SMILES for 2-fluoranthen-3-yl-4-phenylpyrimidine is c1ccc(-c2ccnc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-fluoranthen-3-yl-4-phenylpyrimidine?
The InChIKey is NYCLYPYABGUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-2-7-17(8-3-1)24-15-16-27-26(28-24)23-14-13-22-19-10-5-4-9-18(19)20-11-6-12-21(23)25(20)22/h1-16H.
What are the key properties of 2-fluoranthen-3-yl-4-phenylpyrimidine?
2-fluoranthen-3-yl-4-phenylpyrimidine has a molecular weight of 356.43 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-4-phenylpyrimidine is sourced from PubChem (CID 121287536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).