4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine

C52H36N2 — CID 171052547

IUPAC4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-16-37(17-6-1)40-28-30-42(31-29-40)46-26-13-14-27-48(46)52-53-50(45-25-15-24-43(34-45)38-18-7-2-8-19-38)36-51(54-52)47-33-32-44(39-20-9-3-10-21-39)35-49(47)41-22-11-4-12-23-41/h1-36H
InChIKeyFLSDZXLUYAGRTA-UHFFFAOYSA-N
MW688.87 g/mol
LogP13.81
Rot. Bonds8

About 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine

4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine (PubChem CID 171052547) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine
PubChem CID171052547
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-16-37(17-6-1)40-28-30-42(31-29-40)46-26-13-14-27-48(46)52-53-50(45-25-15-24-43(34-45)38-18-7-2-8-19-38)36-51(54-52)47-33-32-44(39-20-9-3-10-21-39)35-49(47)41-22-11-4-12-23-41/h1-36H
InChIKeyFLSDZXLUYAGRTA-UHFFFAOYSA-N
XLogP13.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-[3-[4-[2-(3,4-diphenylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163549585
2,4-diphenyl-6-[3-[3-[4-phenyl-3-(2-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine
CID 121450646
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
4,6-bis(3-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4,6-bis(4-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4-(3,5-diphenylphenyl)-6-phenyl-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine;4-(2-phenylphenyl)-6-(3-phenylphenyl)-2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 157177421
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2-(2-phenylphenyl)-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288085
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine (CID 171052547) is 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)cc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine?
The InChIKey is FLSDZXLUYAGRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-5-16-37(17-6-1)40-28-30-42(31-29-40)46-26-13-14-27-48(46)52-53-50(45-25-15-24-43(34-45)38-18-7-2-8-19-38)36-51(54-52)47-33-32-44(39-20-9-3-10-21-39)35-49(47)41-22-11-4-12-23-41/h1-36H.
What are the key properties of 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine?
4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine has a molecular weight of 688.87 g/mol, XLogP of 13.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 171052547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).