4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine

C49H31N3 — CID 130265025

IUPAC4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc(-c4cccc(-c5cccnc5)c4)n3)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-9-32(10-3-1)33-18-24-36(25-19-33)49-51-46(30-47(52-49)38-12-6-11-37(29-38)39-13-8-28-50-31-39)35-22-20-34(21-23-35)40-26-27-45-42-15-5-4-14-41(42)44-17-7-16-43(40)48(44)45/h1-31H
InChIKeySYYSKSWGANZCKA-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.67
Rot. Bonds6

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

4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130265025) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130265025
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc(-c4cccc(-c5cccnc5)c4)n3)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-9-32(10-3-1)33-18-24-36(25-19-33)49-51-46(30-47(52-49)38-12-6-11-37(29-38)39-13-8-28-50-31-39)35-22-20-34(21-23-35)40-26-27-45-42-15-5-4-14-41(42)44-17-7-16-43(40)48(44)45/h1-31H
InChIKeySYYSKSWGANZCKA-UHFFFAOYSA-N
XLogP12.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
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
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264454
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
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
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 130265025) is 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc(-c4cccc(-c5cccnc5)c4)n3)cc2)cc1.
What is the InChIKey of 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is SYYSKSWGANZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-9-32(10-3-1)33-18-24-36(25-19-33)49-51-46(30-47(52-49)38-12-6-11-37(29-38)39-13-8-28-50-31-39)35-22-20-34(21-23-35)40-26-27-45-42-15-5-4-14-41(42)44-17-7-16-43(40)48(44)45/h1-31H.
What are the key properties of 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 661.81 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130265025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).