2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine

C32H22N4 — CID 155006921

IUPAC2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccnc(-c6ccccc6)n5)cc4)cc3)ncn2)cc1
InChIInChI=1S/C32H22N4/c1-3-7-25(8-4-1)30-21-31(35-22-34-30)27-17-13-24(14-18-27)23-11-15-26(16-12-23)29-19-20-33-32(36-29)28-9-5-2-6-10-28/h1-22H
InChIKeyPRFZSFMDZNMUGO-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.60
Rot. Bonds5

About 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine

2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine (PubChem CID 155006921) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
PubChem CID155006921
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccnc(-c6ccccc6)n5)cc4)cc3)ncn2)cc1
InChIInChI=1S/C32H22N4/c1-3-7-25(8-4-1)30-21-31(35-22-34-30)27-17-13-24(14-18-27)23-11-15-26(16-12-23)29-19-20-33-32(36-29)28-9-5-2-6-10-28/h1-22H
InChIKeyPRFZSFMDZNMUGO-UHFFFAOYSA-N
XLogP7.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 159839509
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
CID 162018745
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167686674
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
CID 165108253
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine (CID 155006921) is 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccnc(-c6ccccc6)n5)cc4)cc3)ncn2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
The InChIKey is PRFZSFMDZNMUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-7-25(8-4-1)30-21-31(35-22-34-30)27-17-13-24(14-18-27)23-11-15-26(16-12-23)29-19-20-33-32(36-29)28-9-5-2-6-10-28/h1-22H.
What are the key properties of 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine?
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine has a molecular weight of 462.56 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 155006921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).