2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine

C34H24N2 — CID 58604250

IUPAC2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C34H24N2/c1-4-10-25(11-5-1)27-16-20-29(21-17-27)32-24-33(36-34(35-32)31-14-8-3-9-15-31)30-22-18-28(19-23-30)26-12-6-2-7-13-26/h1-24H
InChIKeyXJUDQNGJPSMNHD-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.81
Rot. Bonds5

About 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine

2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine (PubChem CID 58604250) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
PubChem CID58604250
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C34H24N2/c1-4-10-25(11-5-1)27-16-20-29(21-17-27)32-24-33(36-34(35-32)31-14-8-3-9-15-31)30-22-18-28(19-23-30)26-12-6-2-7-13-26/h1-24H
InChIKeyXJUDQNGJPSMNHD-UHFFFAOYSA-N
XLogP8.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 140904927
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine (CID 58604250) is 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine?
The InChIKey is XJUDQNGJPSMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-4-10-25(11-5-1)27-16-20-29(21-17-27)32-24-33(36-34(35-32)31-14-8-3-9-15-31)30-22-18-28(19-23-30)26-12-6-2-7-13-26/h1-24H.
What are the key properties of 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine?
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine has a molecular weight of 460.58 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 58604250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).