2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C55H37N5 — CID 142734263

IUPAC2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)nc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2)cc1
InChIInChI=1S/C55H37N5/c1-6-16-38(17-7-1)48-35-51(41-20-10-3-11-21-41)57-52(36-48)42-28-26-39(27-29-42)46-32-47(45-30-31-50(56-37-45)40-18-8-2-9-19-40)34-49(33-46)55-59-53(43-22-12-4-13-23-43)58-54(60-55)44-24-14-5-15-25-44/h1-37H
InChIKeyQGZXQVFTBOFOAZ-UHFFFAOYSA-N
MW767.94 g/mol
LogP13.66
Rot. Bonds9

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

2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 142734263) has the molecular formula C55H37N5 and a molecular weight of 767.94 g/mol. Its IUPAC name is 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID142734263
Molecular FormulaC55H37N5
Molecular Weight767.94 g/mol
Exact Mass767.30
IUPAC Name2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)nc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2)cc1
InChIInChI=1S/C55H37N5/c1-6-16-38(17-7-1)48-35-51(41-20-10-3-11-21-41)57-52(36-48)42-28-26-39(27-29-42)46-32-47(45-30-31-50(56-37-45)40-18-8-2-9-19-40)34-49(33-46)55-59-53(43-22-12-4-13-23-43)58-54(60-55)44-24-14-5-15-25-44/h1-37H
InChIKeyQGZXQVFTBOFOAZ-UHFFFAOYSA-N
XLogP13.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.94
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]pyridine
CID 159365792
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611
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
2,4-diphenyl-6-[6-[4-phenyl-6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine
CID 164816912
3-[6-[5-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-phenyl-2-pyridinyl]isoquinoline
CID 164817039
4-[4-[4-[6-[6-(5-fluoro-2-pyridinyl)-4-phenyl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 164817240
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,6-diphenyl-4-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159967956

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 142734263) is 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6ccccc6)nc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)c2)cc1.
What is the InChIKey of 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QGZXQVFTBOFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5/c1-6-16-38(17-7-1)48-35-51(41-20-10-3-11-21-41)57-52(36-48)42-28-26-39(27-29-42)46-32-47(45-30-31-50(56-37-45)40-18-8-2-9-19-40)34-49(33-46)55-59-53(43-22-12-4-13-23-43)58-54(60-55)44-24-14-5-15-25-44/h1-37H.
What are the key properties of 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 767.94 g/mol, XLogP of 13.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142734263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).