4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

C37H23N3 — CID 130264413

IUPAC4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C37H23N3/c1-2-8-25(9-3-1)34-22-35(40-37(39-34)26-17-15-24(16-18-26)27-10-7-21-38-23-27)30-19-20-33-29-12-5-4-11-28(29)31-13-6-14-32(30)36(31)33/h1-23H
InChIKeyRQEVFVTUBWOXRT-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.34
Rot. Bonds4

About 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130264413) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID130264413
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C37H23N3/c1-2-8-25(9-3-1)34-22-35(40-37(39-34)26-17-15-24(16-18-26)27-10-7-21-38-23-27)30-19-20-33-29-12-5-4-11-28(29)31-13-6-14-32(30)36(31)33/h1-23H
InChIKeyRQEVFVTUBWOXRT-UHFFFAOYSA-N
XLogP9.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264454
4-dibenzothiophen-2-yl-6-fluoranthen-3-yl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262666
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
2,4-diphenyl-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 167597427
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546

Frequently Asked Questions

What is the IUPAC name of 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 130264413) is 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.
What is the InChIKey of 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is RQEVFVTUBWOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-2-8-25(9-3-1)34-22-35(40-37(39-34)26-17-15-24(16-18-26)27-10-7-21-38-23-27)30-19-20-33-29-12-5-4-11-28(29)31-13-6-14-32(30)36(31)33/h1-23H.
What are the key properties of 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 509.61 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130264413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).