2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine

C35H21N5 — CID 130263791

IUPAC2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ncncn4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C35H21N5/c1-2-7-22(8-3-1)31-19-32(23-13-15-24(16-14-23)34-37-20-36-21-38-34)40-35(39-31)30-18-17-29-26-10-5-4-9-25(26)27-11-6-12-28(30)33(27)29/h1-21H
InChIKeyIQAULWOWDFKADA-UHFFFAOYSA-N
MW511.59 g/mol
LogP8.13
Rot. Bonds4

About 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine

2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine (PubChem CID 130263791) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine
PubChem CID130263791
Molecular FormulaC35H21N5
Molecular Weight511.59 g/mol
Exact Mass511.18
IUPAC Name2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc(-c4ncncn4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C35H21N5/c1-2-7-22(8-3-1)31-19-32(23-13-15-24(16-14-23)34-37-20-36-21-38-34)40-35(39-31)30-18-17-29-26-10-5-4-9-25(26)27-11-6-12-28(30)33(27)29/h1-21H
InChIKeyIQAULWOWDFKADA-UHFFFAOYSA-N
XLogP8.13
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
CID 144968008
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167418
2-fluoranthen-3-yl-4-phenylpyrimidine
CID 121287536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine (CID 130263791) is 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccc(-c4ncncn4)cc3)nc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is IQAULWOWDFKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-2-7-22(8-3-1)31-19-32(23-13-15-24(16-14-23)34-37-20-36-21-38-34)40-35(39-31)30-18-17-29-26-10-5-4-9-25(26)27-11-6-12-28(30)33(27)29/h1-21H.
What are the key properties of 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine?
2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 511.59 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 130263791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).