2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine

C38H26N4 — CID 121289840

IUPAC2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)n2)cc1
InChIInChI=1S/C38H26N4/c1-2-4-35(5-3-1)38-41-36(26-37(42-38)34-16-12-30(13-17-34)32-20-24-40-25-21-32)33-14-10-28(11-15-33)27-6-8-29(9-7-27)31-18-22-39-23-19-31/h1-26H
InChIKeyFFNDPCUKVLUIJL-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

About 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine (PubChem CID 121289840) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
PubChem CID121289840
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)n2)cc1
InChIInChI=1S/C38H26N4/c1-2-4-35(5-3-1)38-41-36(26-37(42-38)34-16-12-30(13-17-34)32-20-24-40-25-21-32)33-14-10-28(11-15-33)27-6-8-29(9-7-27)31-18-22-39-23-19-31/h1-26H
InChIKeyFFNDPCUKVLUIJL-UHFFFAOYSA-N
XLogP9.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine (CID 121289840) is 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5ccncc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
The InChIKey is FFNDPCUKVLUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-4-35(5-3-1)38-41-36(26-37(42-38)34-16-12-30(13-17-34)32-20-24-40-25-21-32)33-14-10-28(11-15-33)27-6-8-29(9-7-27)31-18-22-39-23-19-31/h1-26H.
What are the key properties of 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine?
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine has a molecular weight of 538.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 121289840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).