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

C54H36N6 — CID 58943344

IUPAC2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C54H36N6/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43)46-34-47(53-57-49(39-23-11-3-12-24-39)55-50(58-53)40-25-13-4-14-26-40)36-48(35-46)54-59-51(41-27-15-5-16-28-41)56-52(60-54)42-29-17-6-18-30-42/h1-36H
InChIKeyXWHUWTSYIPVRMX-UHFFFAOYSA-N
MW768.92 g/mol
LogP13.06
Rot. Bonds9

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

2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943344) has the molecular formula C54H36N6 and a molecular weight of 768.92 g/mol. Its IUPAC name is 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58943344
Molecular FormulaC54H36N6
Molecular Weight768.92 g/mol
Exact Mass768.30
IUPAC Name2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C54H36N6/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43)46-34-47(53-57-49(39-23-11-3-12-24-39)55-50(58-53)40-25-13-4-14-26-40)36-48(35-46)54-59-51(41-27-15-5-16-28-41)56-52(60-54)42-29-17-6-18-30-42/h1-36H
InChIKeyXWHUWTSYIPVRMX-UHFFFAOYSA-N
XLogP13.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 58943344) is 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XWHUWTSYIPVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N6/c1-7-19-37(20-8-1)43-31-44(38-21-9-2-10-22-38)33-45(32-43)46-34-47(53-57-49(39-23-11-3-12-24-39)55-50(58-53)40-25-13-4-14-26-40)36-48(35-46)54-59-51(41-27-15-5-16-28-41)56-52(60-54)42-29-17-6-18-30-42/h1-36H.
What are the key properties of 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 768.92 g/mol, XLogP of 13.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).