2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine

C52H44N10 — CID 176843202

IUPAC2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(C(C)(C)C)n5)c4)n3)c2)n1
InChIInChI=1S/C52H44N10/c1-51(2,3)49-59-43(34-21-12-8-13-22-34)56-46(61-49)37-26-18-25-36(29-37)45-54-42(33-19-10-7-11-20-33)55-47(58-45)39-30-38(41-27-16-17-28-53-41)31-40(32-39)48-57-44(35-23-14-9-15-24-35)60-50(62-48)52(4,5)6/h7-32H,1-6H3
InChIKeyGXECLMSZHDERGB-UHFFFAOYSA-N
MW808.99 g/mol
LogP11.57
Rot. Bonds8

About 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine

2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine (PubChem CID 176843202) has the molecular formula C52H44N10 and a molecular weight of 808.99 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
PubChem CID176843202
Molecular FormulaC52H44N10
Molecular Weight808.99 g/mol
Exact Mass808.38
IUPAC Name2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(C(C)(C)C)n5)c4)n3)c2)n1
InChIInChI=1S/C52H44N10/c1-51(2,3)49-59-43(34-21-12-8-13-22-34)56-46(61-49)37-26-18-25-36(29-37)45-54-42(33-19-10-7-11-20-33)55-47(58-45)39-30-38(41-27-16-17-28-53-41)31-40(32-39)48-57-44(35-23-14-9-15-24-35)60-50(62-48)52(4,5)6/h7-32H,1-6H3
InChIKeyGXECLMSZHDERGB-UHFFFAOYSA-N
XLogP11.57
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-[3-[4-[4-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-1,3,5-triazine
CID 176843193
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-fluorophenyl)-1,3,5-triazine
CID 176842919
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-tert-butyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252344

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine (CID 176843202) is 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine is CC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccn5)cc(-c5nc(-c6ccccc6)nc(C(C)(C)C)n5)c4)n3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is GXECLMSZHDERGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N10/c1-51(2,3)49-59-43(34-21-12-8-13-22-34)56-46(61-49)37-26-18-25-36(29-37)45-54-42(33-19-10-7-11-20-33)55-47(58-45)39-30-38(41-27-16-17-28-53-41)31-40(32-39)48-57-44(35-23-14-9-15-24-35)60-50(62-48)52(4,5)6/h7-32H,1-6H3.
What are the key properties of 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine?
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 808.99 g/mol, XLogP of 11.57, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176843202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).