2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

C56H36N6 — CID 58233387

IUPAC2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(-c5ccccc5)ccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C56H36N6/c1-7-19-37(20-8-1)43-31-33-45-47(35-43)49(55-59-51(39-23-11-3-12-24-39)57-52(60-55)40-25-13-4-14-26-40)46-34-32-44(38-21-9-2-10-22-38)36-48(46)50(45)56-61-53(41-27-15-5-16-28-41)58-54(62-56)42-29-17-6-18-30-42/h1-36H
InChIKeyVRTBONCILCZQKP-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.70
Rot. Bonds8

About 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine

2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233387) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58233387
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(-c5ccccc5)ccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C56H36N6/c1-7-19-37(20-8-1)43-31-33-45-47(35-43)49(55-59-51(39-23-11-3-12-24-39)57-52(60-55)40-25-13-4-14-26-40)46-34-32-44(38-21-9-2-10-22-38)36-48(46)50(45)56-61-53(41-27-15-5-16-28-41)58-54(62-56)42-29-17-6-18-30-42/h1-36H
InChIKeyVRTBONCILCZQKP-UHFFFAOYSA-N
XLogP13.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 58233387) is 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2ccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4cc(-c5ccccc5)ccc4c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VRTBONCILCZQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-7-19-37(20-8-1)43-31-33-45-47(35-43)49(55-59-51(39-23-11-3-12-24-39)57-52(60-55)40-25-13-4-14-26-40)46-34-32-44(38-21-9-2-10-22-38)36-48(46)50(45)56-61-53(41-27-15-5-16-28-41)58-54(62-56)42-29-17-6-18-30-42/h1-36H.
What are the key properties of 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine?
2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 792.95 g/mol, XLogP of 13.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylanthracen-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).