4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine

C44H28N2 — CID 130355522

IUPAC4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)c2)cc1
InChIInChI=1S/C44H28N2/c1-4-13-29(14-5-1)32-25-33(30-15-6-2-7-16-30)27-34(26-32)42-28-41(31-17-8-3-9-18-31)45-44(46-42)40-24-23-39-36-20-11-10-19-35(36)37-21-12-22-38(40)43(37)39/h1-28H
InChIKeyAIDKWJCODLXZGG-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.61
Rot. Bonds5

About 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine

4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine (PubChem CID 130355522) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
PubChem CID130355522
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)c2)cc1
InChIInChI=1S/C44H28N2/c1-4-13-29(14-5-1)32-25-33(30-15-6-2-7-16-30)27-34(26-32)42-28-41(31-17-8-3-9-18-31)45-44(46-42)40-24-23-39-36-20-11-10-19-35(36)37-21-12-22-38(40)43(37)39/h1-28H
InChIKeyAIDKWJCODLXZGG-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-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
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-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
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
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
4-dibenzothiophen-1-yl-6-(3-fluoranthen-3-yl-5-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 130355621
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine?
The IUPAC name of 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine (CID 130355522) is 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4-5)n3)c2)cc1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine?
The InChIKey is AIDKWJCODLXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-4-13-29(14-5-1)32-25-33(30-15-6-2-7-16-30)27-34(26-32)42-28-41(31-17-8-3-9-18-31)45-44(46-42)40-24-23-39-36-20-11-10-19-35(36)37-21-12-22-38(40)43(37)39/h1-28H.
What are the key properties of 4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine?
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine 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-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine is sourced from PubChem (CID 130355522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).