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)

C147H99N15 — CID 163726860

IUPAC2,4-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)
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/3C49H33N5/c1-5-15-34(16-6-1)40-23-13-25-42(31-40)44-33-45(51-46(50-44)36-17-7-2-8-18-36)43-26-14-24-41(32-43)35-27-29-39(30-28-35)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;2*1-5-14-34(15-6-1)35-24-28-40(29-25-35)46-50-44(37-16-7-2-8-17-37)33-45(51-46)43-23-13-22-42(32-43)36-26-30-41(31-27-36)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39/h3*1-33H
InChIKeyKWIXEOPJXXSVOA-UHFFFAOYSA-N
MW2075.51 g/mol
LogP35.99
Rot. Bonds24

About 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)

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) (PubChem CID 163726860) has the molecular formula C147H99N15 and a molecular weight of 2075.51 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2,4-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)
PubChem CID163726860
Molecular FormulaC147H99N15
Molecular Weight2075.51 g/mol
Exact Mass2073.82
IUPAC Name2,4-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)
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/3C49H33N5/c1-5-15-34(16-6-1)40-23-13-25-42(31-40)44-33-45(51-46(50-44)36-17-7-2-8-18-36)43-26-14-24-41(32-43)35-27-29-39(30-28-35)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;2*1-5-14-34(15-6-1)35-24-28-40(29-25-35)46-50-44(37-16-7-2-8-17-37)33-45(51-46)43-23-13-22-42(32-43)36-26-30-41(31-27-36)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39/h3*1-33H
InChIKeyKWIXEOPJXXSVOA-UHFFFAOYSA-N
XLogP35.99
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.51
LogP ≤ 535.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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) 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 2,4-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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 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)?
The InChIKey is KWIXEOPJXXSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H33N5/c1-5-15-34(16-6-1)40-23-13-25-42(31-40)44-33-45(51-46(50-44)36-17-7-2-8-18-36)43-26-14-24-41(32-43)35-27-29-39(30-28-35)49-53-47(37-19-9-3-10-20-37)52-48(54-49)38-21-11-4-12-22-38;2*1-5-14-34(15-6-1)35-24-28-40(29-25-35)46-50-44(37-16-7-2-8-17-37)33-45(51-46)43-23-13-22-42(32-43)36-26-30-41(31-27-36)49-53-47(38-18-9-3-10-19-38)52-48(54-49)39-20-11-4-12-21-39/h3*1-33H.
What are the key properties of 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)?
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) has a molecular weight of 2075.51 g/mol, XLogP of 35.99, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 163726860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).