4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine

C54H32N2 — CID 59779601

IUPAC4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C54H32N2/c1-2-10-37(11-3-1)54-55-50(35-24-20-33(21-25-35)38-28-30-48-42-14-6-4-12-40(42)46-18-8-16-44(38)52(46)48)32-51(56-54)36-26-22-34(23-27-36)39-29-31-49-43-15-7-5-13-41(43)47-19-9-17-45(39)53(47)49/h1-32H
InChIKeyVEAJPNSLXOATQU-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.41
Rot. Bonds5

About 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine

4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine (PubChem CID 59779601) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
PubChem CID59779601
Molecular FormulaC54H32N2
Molecular Weight708.86 g/mol
Exact Mass708.26
IUPAC Name4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1
InChIInChI=1S/C54H32N2/c1-2-10-37(11-3-1)54-55-50(35-24-20-33(21-25-35)38-28-30-48-42-14-6-4-12-40(42)46-18-8-16-44(38)52(46)48)32-51(56-54)36-26-22-34(23-27-36)39-29-31-49-43-15-7-5-13-41(43)47-19-9-17-45(39)53(47)49/h1-32H
InChIKeyVEAJPNSLXOATQU-UHFFFAOYSA-N
XLogP14.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.41
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-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine (CID 59779601) is 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)cc(-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)cc3)n2)cc1.
What is the InChIKey of 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine?
The InChIKey is VEAJPNSLXOATQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c1-2-10-37(11-3-1)54-55-50(35-24-20-33(21-25-35)38-28-30-48-42-14-6-4-12-40(42)46-18-8-16-44(38)52(46)48)32-51(56-54)36-26-22-34(23-27-36)39-29-31-49-43-15-7-5-13-41(43)47-19-9-17-45(39)53(47)49/h1-32H.
What are the key properties of 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine?
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine has a molecular weight of 708.86 g/mol, XLogP of 14.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 59779601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).