2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

C48H32N6 — CID 164817295

IUPAC2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3)c2)cc1
InChIInChI=1S/C48H32N6/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)41-30-44(42-23-13-14-26-49-42)51-45(31-41)43-25-24-37(32-50-43)48-53-46(35-19-9-3-10-20-35)52-47(54-48)36-21-11-4-12-22-36/h1-32H
InChIKeyVXQVJZYINZYHNE-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.39
Rot. Bonds8

About 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine

2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164817295) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164817295
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3)c2)cc1
InChIInChI=1S/C48H32N6/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)41-30-44(42-23-13-14-26-49-42)51-45(31-41)43-25-24-37(32-50-43)48-53-46(35-19-9-3-10-20-35)52-47(54-48)36-21-11-4-12-22-36/h1-32H
InChIKeyVXQVJZYINZYHNE-UHFFFAOYSA-N
XLogP11.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

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
2,4-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
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
2,4-diphenyl-6-[6-[4-phenyl-6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine
CID 164816912
2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 126727033
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
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
2,4-diphenyl-6-[3-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 165007093
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine (CID 164817295) is 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccn4)nc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3)c2)cc1.
What is the InChIKey of 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VXQVJZYINZYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-5-15-33(16-6-1)38-27-39(34-17-7-2-8-18-34)29-40(28-38)41-30-44(42-23-13-14-26-49-42)51-45(31-41)43-25-24-37(32-50-43)48-53-46(35-19-9-3-10-20-35)52-47(54-48)36-21-11-4-12-22-36/h1-32H.
What are the key properties of 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 692.83 g/mol, XLogP of 11.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164817295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).