2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine

C47H36N4 — CID 121315643

IUPAC2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H36N4/c1-47(2,39-27-23-37(24-28-39)45-48-41(33-15-7-3-8-16-33)31-42(49-45)34-17-9-4-10-18-34)40-29-25-38(26-30-40)46-50-43(35-19-11-5-12-20-35)32-44(51-46)36-21-13-6-14-22-36/h3-32H,1-2H3
InChIKeyYSLLTWDBCIKFNT-UHFFFAOYSA-N
MW656.83 g/mol
LogP11.59
Rot. Bonds8

About 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine

2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine (PubChem CID 121315643) has the molecular formula C47H36N4 and a molecular weight of 656.83 g/mol. Its IUPAC name is 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
PubChem CID121315643
Molecular FormulaC47H36N4
Molecular Weight656.83 g/mol
Exact Mass656.29
IUPAC Name2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H36N4/c1-47(2,39-27-23-37(24-28-39)45-48-41(33-15-7-3-8-16-33)31-42(49-45)34-17-9-4-10-18-34)40-29-25-38(26-30-40)46-50-43(35-19-11-5-12-20-35)32-44(51-46)36-21-13-6-14-22-36/h3-32H,1-2H3
InChIKeyYSLLTWDBCIKFNT-UHFFFAOYSA-N
XLogP11.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121315664
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
2-phenyl-4-[4-[2-[4-(2-phenyl-6-thiophen-2-ylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine
CID 121315468
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[4-[2-[4-[2-[(1Z)-buta-1,3-dienyl]phenyl]phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 146384699
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine (CID 121315643) is 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine is CC(C)(c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine?
The InChIKey is YSLLTWDBCIKFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N4/c1-47(2,39-27-23-37(24-28-39)45-48-41(33-15-7-3-8-16-33)31-42(49-45)34-17-9-4-10-18-34)40-29-25-38(26-30-40)46-50-43(35-19-11-5-12-20-35)32-44(51-46)36-21-13-6-14-22-36/h3-32H,1-2H3.
What are the key properties of 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine?
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine has a molecular weight of 656.83 g/mol, XLogP of 11.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 121315643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).