2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine

C73H52N8 — CID 138661696

IUPAC2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(Cc7cc(-c8ccccc8)cc(-c8nc(C)nc(-c9ccccc9)n8)c7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)c4)c3)cc2)n1
InChIInChI=1S/C73H52N8/c1-48-74-67(56-21-11-5-12-22-56)47-68(75-48)57-35-29-54(30-36-57)61-25-15-27-63(44-61)64-28-16-26-62(45-64)55-33-39-60(40-34-55)72-79-69(78-71(81-72)59-37-31-53(32-38-59)51-17-7-3-8-18-51)43-50-41-65(52-19-9-4-10-20-52)46-66(42-50)73-77-49(2)76-70(80-73)58-23-13-6-14-24-58/h3-42,44-47H,43H2,1-2H3
InChIKeyAUEYDSXQZPCJGH-UHFFFAOYSA-N
MW1041.28 g/mol
LogP17.39
Rot. Bonds13

About 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine

2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138661696) has the molecular formula C73H52N8 and a molecular weight of 1041.28 g/mol. Its IUPAC name is 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine
PubChem CID138661696
Molecular FormulaC73H52N8
Molecular Weight1041.28 g/mol
Exact Mass1040.43
IUPAC Name2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(Cc7cc(-c8ccccc8)cc(-c8nc(C)nc(-c9ccccc9)n8)c7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)c4)c3)cc2)n1
InChIInChI=1S/C73H52N8/c1-48-74-67(56-21-11-5-12-22-56)47-68(75-48)57-35-29-54(30-36-57)61-25-15-27-63(44-61)64-28-16-26-62(45-64)55-33-39-60(40-34-55)72-79-69(78-71(81-72)59-37-31-53(32-38-59)51-17-7-3-8-18-51)43-50-41-65(52-19-9-4-10-20-52)46-66(42-50)73-77-49(2)76-70(80-73)58-23-13-6-14-24-58/h3-42,44-47H,43H2,1-2H3
InChIKeyAUEYDSXQZPCJGH-UHFFFAOYSA-N
XLogP17.39
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.28
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine (CID 138661696) is 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine is Cc1nc(-c2ccccc2)cc(-c2ccc(-c3cccc(-c4cccc(-c5ccc(-c6nc(Cc7cc(-c8ccccc8)cc(-c8nc(C)nc(-c9ccccc9)n8)c7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)c4)c3)cc2)n1.
What is the InChIKey of 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is AUEYDSXQZPCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N8/c1-48-74-67(56-21-11-5-12-22-56)47-68(75-48)57-35-29-54(30-36-57)61-25-15-27-63(44-61)64-28-16-26-62(45-64)55-33-39-60(40-34-55)72-79-69(78-71(81-72)59-37-31-53(32-38-59)51-17-7-3-8-18-51)43-50-41-65(52-19-9-4-10-20-52)46-66(42-50)73-77-49(2)76-70(80-73)58-23-13-6-14-24-58/h3-42,44-47H,43H2,1-2H3.
What are the key properties of 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine?
2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1041.28 g/mol, XLogP of 17.39, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[[4-[4-[3-[3-[4-(2-methyl-6-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-5-phenylphenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138661696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).