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

C58H36N2 — CID 168756476

IUPAC4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C58H36N2/c1-2-13-43(14-3-1)58-59-54(36-55(60-58)45-30-21-37-11-4-5-15-44(37)35-45)41-26-22-40(23-27-41)48-32-31-38-12-6-7-16-47(38)56(48)42-28-24-39(25-29-42)46-33-34-53-50-18-9-8-17-49(50)52-20-10-19-51(46)57(52)53/h1-36H
InChIKeyYWMQPSYUCMDTCW-UHFFFAOYSA-N
MW760.94 g/mol
LogP15.59
Rot. Bonds6

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

4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (PubChem CID 168756476) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
PubChem CID168756476
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC Name4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C58H36N2/c1-2-13-43(14-3-1)58-59-54(36-55(60-58)45-30-21-37-11-4-5-15-44(37)35-45)41-26-22-40(23-27-41)48-32-31-38-12-6-7-16-47(38)56(48)42-28-24-39(25-29-42)46-33-34-53-50-18-9-8-17-49(50)52-20-10-19-51(46)57(52)53/h1-36H
InChIKeyYWMQPSYUCMDTCW-UHFFFAOYSA-N
XLogP15.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
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
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (CID 168756476) is 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The InChIKey is YWMQPSYUCMDTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-2-13-43(14-3-1)58-59-54(36-55(60-58)45-30-21-37-11-4-5-15-44(37)35-45)41-26-22-40(23-27-41)48-32-31-38-12-6-7-16-47(38)56(48)42-28-24-39(25-29-42)46-33-34-53-50-18-9-8-17-49(50)52-20-10-19-51(46)57(52)53/h1-36H.
What are the key properties of 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine has a molecular weight of 760.94 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 168756476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).