4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine

C44H28N2 — CID 170003223

IUPAC4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)41-28-42(46-44(45-41)30-15-5-2-6-16-30)37-22-10-7-19-33(37)31-17-11-18-32(27-31)34-25-26-40-36-21-9-8-20-35(36)39-24-12-23-38(34)43(39)40/h1-28H
InChIKeyITTSGJPKZBEUCJ-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.61
Rot. Bonds5

About 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine

4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 170003223) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
PubChem CID170003223
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N2/c1-3-13-29(14-4-1)41-28-42(46-44(45-41)30-15-5-2-6-16-30)37-22-10-7-19-33(37)31-17-11-18-32(27-31)34-25-26-40-36-21-9-8-20-35(36)39-24-12-23-38(34)43(39)40/h1-28H
InChIKeyITTSGJPKZBEUCJ-UHFFFAOYSA-N
XLogP11.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
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-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
4-dibenzothiophen-1-yl-6-(3-fluoranthen-3-yl-5-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 130355621
6-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,3,4-triphenylpyridine
CID 170003415
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine (CID 170003223) is 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is ITTSGJPKZBEUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-13-29(14-4-1)41-28-42(46-44(45-41)30-15-5-2-6-16-30)37-22-10-7-19-33(37)31-17-11-18-32(27-31)34-25-26-40-36-21-9-8-20-35(36)39-24-12-23-38(34)43(39)40/h1-28H.
What are the key properties of 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine?
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 584.72 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 170003223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).