2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C70H46N8 — CID 126730905

IUPAC2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H46N8/c1-5-17-47(18-6-1)49-31-35-53(36-32-49)63-46-64(75-67(74-63)54-21-9-3-10-22-54)59-41-57(51-27-29-52(30-28-51)58-44-65(61-25-13-15-39-71-61)73-66(45-58)62-26-14-16-40-72-62)42-60(43-59)70-77-68(55-23-11-4-12-24-55)76-69(78-70)56-37-33-50(34-38-56)48-19-7-2-8-20-48/h1-46H
InChIKeyIWPSWSAYACYVKM-UHFFFAOYSA-N
MW999.19 g/mol
LogP16.85
Rot. Bonds12

About 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 126730905) has the molecular formula C70H46N8 and a molecular weight of 999.19 g/mol. Its IUPAC name is 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID126730905
Molecular FormulaC70H46N8
Molecular Weight999.19 g/mol
Exact Mass998.38
IUPAC Name2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C70H46N8/c1-5-17-47(18-6-1)49-31-35-53(36-32-49)63-46-64(75-67(74-63)54-21-9-3-10-22-54)59-41-57(51-27-29-52(30-28-51)58-44-65(61-25-13-15-39-71-61)73-66(45-58)62-26-14-16-40-72-62)42-60(43-59)70-77-68(55-23-11-4-12-24-55)76-69(78-70)56-37-33-50(34-38-56)48-19-7-2-8-20-48/h1-46H
InChIKeyIWPSWSAYACYVKM-UHFFFAOYSA-N
XLogP16.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.19
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyridine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)pyrimidine;2,4,6-tris(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,5-triazine
CID 157431820
2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165107682
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 126730905) is 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)cc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IWPSWSAYACYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N8/c1-5-17-47(18-6-1)49-31-35-53(36-32-49)63-46-64(75-67(74-63)54-21-9-3-10-22-54)59-41-57(51-27-29-52(30-28-51)58-44-65(61-25-13-15-39-71-61)73-66(45-58)62-26-14-16-40-72-62)42-60(43-59)70-77-68(55-23-11-4-12-24-55)76-69(78-70)56-37-33-50(34-38-56)48-19-7-2-8-20-48/h1-46H.
What are the key properties of 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 999.19 g/mol, XLogP of 16.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 126730905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).