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

C60H38N6 — CID 58233385

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C60H38N6/c1-6-20-40(21-7-1)53-49-35-33-46(60-65-57(43-26-12-4-13-27-43)62-58(66-60)44-28-14-5-15-29-44)38-52(49)54(48-32-18-30-39-19-16-17-31-47(39)48)50-36-34-45(37-51(50)53)59-63-55(41-22-8-2-9-23-41)61-56(64-59)42-24-10-3-11-25-42/h1-38H
InChIKeyOSVBYUQPCGMTBY-UHFFFAOYSA-N
MW843.01 g/mol
LogP14.85
Rot. Bonds8

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

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233385) has the molecular formula C60H38N6 and a molecular weight of 843.01 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58233385
Molecular FormulaC60H38N6
Molecular Weight843.01 g/mol
Exact Mass842.32
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccccc5)c4c3)n2)cc1
InChIInChI=1S/C60H38N6/c1-6-20-40(21-7-1)53-49-35-33-46(60-65-57(43-26-12-4-13-27-43)62-58(66-60)44-28-14-5-15-29-44)38-52(49)54(48-32-18-30-39-19-16-17-31-47(39)48)50-36-34-45(37-51(50)53)59-63-55(41-22-8-2-9-23-41)61-56(64-59)42-24-10-3-11-25-42/h1-38H
InChIKeyOSVBYUQPCGMTBY-UHFFFAOYSA-N
XLogP14.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 58233385) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5cccc6ccccc56)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccccc5)c4c3)n2)cc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OSVBYUQPCGMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6/c1-6-20-40(21-7-1)53-49-35-33-46(60-65-57(43-26-12-4-13-27-43)62-58(66-60)44-28-14-5-15-29-44)38-52(49)54(48-32-18-30-39-19-16-17-31-47(39)48)50-36-34-45(37-51(50)53)59-63-55(41-22-8-2-9-23-41)61-56(64-59)42-24-10-3-11-25-42/h1-38H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 843.01 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).