2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine

C38H26N4 — CID 178054234

IUPAC2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3ccnc(-c4cccc(-c5cccc(-c6ccnc(-c7ccccc7)n6)c5)c4)n3)c2)cc1
InChIInChI=1S/C38H26N4/c1-3-10-27(11-4-1)29-14-7-17-32(24-29)36-21-23-40-38(42-36)34-19-9-16-31(26-34)30-15-8-18-33(25-30)35-20-22-39-37(41-35)28-12-5-2-6-13-28/h1-26H
InChIKeyYLENKLIRRACTAZ-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

About 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine

2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine (PubChem CID 178054234) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
PubChem CID178054234
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3ccnc(-c4cccc(-c5cccc(-c6ccnc(-c7ccccc7)n6)c5)c4)n3)c2)cc1
InChIInChI=1S/C38H26N4/c1-3-10-27(11-4-1)29-14-7-17-32(24-29)36-21-23-40-38(42-36)34-19-9-16-31(26-34)30-15-8-18-33(25-30)35-20-22-39-37(41-35)28-12-5-2-6-13-28/h1-26H
InChIKeyYLENKLIRRACTAZ-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-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
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-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;yttrium
CID 59738567
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156767945
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
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-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine (CID 178054234) is 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine is c1ccc(-c2cccc(-c3ccnc(-c4cccc(-c5cccc(-c6ccnc(-c7ccccc7)n6)c5)c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine?
The InChIKey is YLENKLIRRACTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-3-10-27(11-4-1)29-14-7-17-32(24-29)36-21-23-40-38(42-36)34-19-9-16-31(26-34)30-15-8-18-33(25-30)35-20-22-39-37(41-35)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine?
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]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-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 178054234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).