2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine

C45H32N4 — CID 129292620

IUPAC2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cccc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1
InChIInChI=1S/C45H32N4/c1-31-10-8-15-42(48-31)36-20-16-32(17-21-36)38-26-39(33-18-22-37(23-19-33)45-46-24-9-25-47-45)28-40(27-38)41-29-43(34-11-4-2-5-12-34)49-44(30-41)35-13-6-3-7-14-35/h2-30H,1H3
InChIKeyRZOKMAGEQQZBRH-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.24
Rot. Bonds7

About 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine

2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine (PubChem CID 129292620) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine
PubChem CID129292620
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cccc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1
InChIInChI=1S/C45H32N4/c1-31-10-8-15-42(48-31)36-20-16-32(17-21-36)38-26-39(33-18-22-37(23-19-33)45-46-24-9-25-47-45)28-40(27-38)41-29-43(34-11-4-2-5-12-34)49-44(30-41)35-13-6-3-7-14-35/h2-30H,1H3
InChIKeyRZOKMAGEQQZBRH-UHFFFAOYSA-N
XLogP11.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[3-[2-phenyl-6-[3-[3-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]pyrimidine
CID 121311713
2-[3-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine
CID 129292675
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]pyrimidine
CID 129292668
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine (CID 129292620) is 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine is Cc1cccc(-c2ccc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)cc2)n1.
What is the InChIKey of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is RZOKMAGEQQZBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-31-10-8-15-42(48-31)36-20-16-32(17-21-36)38-26-39(33-18-22-37(23-19-33)45-46-24-9-25-47-45)28-40(27-38)41-29-43(34-11-4-2-5-12-34)49-44(30-41)35-13-6-3-7-14-35/h2-30H,1H3.
What are the key properties of 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine?
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 628.78 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 129292620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).