4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C50H32N2 — CID 170003546

IUPAC4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-3-12-33(13-4-1)34-22-28-37(29-23-34)47-32-48(52-50(51-47)38-14-5-2-6-15-38)43-19-10-7-16-39(43)35-24-26-36(27-25-35)40-30-31-46-42-18-9-8-17-41(42)45-21-11-20-44(40)49(45)46/h1-32H
InChIKeyNIOBLZGNOVHYHQ-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.28
Rot. Bonds6

About 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 170003546) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID170003546
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C50H32N2/c1-3-12-33(13-4-1)34-22-28-37(29-23-34)47-32-48(52-50(51-47)38-14-5-2-6-15-38)43-19-10-7-16-39(43)35-24-26-36(27-25-35)40-30-31-46-42-18-9-8-17-41(42)45-21-11-20-44(40)49(45)46/h1-32H
InChIKeyNIOBLZGNOVHYHQ-UHFFFAOYSA-N
XLogP13.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
4-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyrimidine
CID 146396702

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 170003546) is 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is NIOBLZGNOVHYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-12-33(13-4-1)34-22-28-37(29-23-34)47-32-48(52-50(51-47)38-14-5-2-6-15-38)43-19-10-7-16-39(43)35-24-26-36(27-25-35)40-30-31-46-42-18-9-8-17-41(42)45-21-11-20-44(40)49(45)46/h1-32H.
What are the key properties of 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 660.82 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 170003546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).