2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine

C54H34N2 — CID 168756353

IUPAC2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C54H34N2/c1-3-13-38(14-4-1)50-34-51(39-15-5-2-6-16-39)56-54(55-50)41-28-26-40(27-29-41)52-43-17-8-7-12-35(43)30-31-44(52)37-24-22-36(23-25-37)42-32-33-49-46-19-10-9-18-45(46)48-21-11-20-47(42)53(48)49/h1-34H
InChIKeyDYWQDLLXGOQAFL-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.43
Rot. Bonds6

About 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine

2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 168756353) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID168756353
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C54H34N2/c1-3-13-38(14-4-1)50-34-51(39-15-5-2-6-16-39)56-54(55-50)41-28-26-40(27-29-41)52-43-17-8-7-12-35(43)30-31-44(52)37-24-22-36(23-25-37)42-32-33-49-46-19-10-9-18-45(46)48-21-11-20-47(42)53(48)49/h1-34H
InChIKeyDYWQDLLXGOQAFL-UHFFFAOYSA-N
XLogP14.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
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
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
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-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
CID 168756347
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine (CID 168756353) is 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)ccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is DYWQDLLXGOQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-3-13-38(14-4-1)50-34-51(39-15-5-2-6-16-39)56-54(55-50)41-28-26-40(27-29-41)52-43-17-8-7-12-35(43)30-31-44(52)37-24-22-36(23-25-37)42-32-33-49-46-19-10-9-18-45(46)48-21-11-20-47(42)53(48)49/h1-34H.
What are the key properties of 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine?
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 710.88 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 168756353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).