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

C64H40N6 — CID 58233244

IUPAC2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1
InChIInChI=1S/C64H40N6/c1-5-19-43(20-6-1)59-65-60(44-21-7-2-8-22-44)68-63(67-59)51-33-35-53-55(39-51)57(49-31-29-41-17-13-15-27-47(41)37-49)54-36-34-52(40-56(54)58(53)50-32-30-42-18-14-16-28-48(42)38-50)64-69-61(45-23-9-3-10-24-45)66-62(70-64)46-25-11-4-12-26-46/h1-40H
InChIKeyHNKGUUBDCAXJLK-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.01
Rot. Bonds8

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

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58233244) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58233244
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1
InChIInChI=1S/C64H40N6/c1-5-19-43(20-6-1)59-65-60(44-21-7-2-8-22-44)68-63(67-59)51-33-35-53-55(39-51)57(49-31-29-41-17-13-15-27-47(41)37-49)54-36-34-52(40-56(54)58(53)50-32-30-42-18-14-16-28-48(42)38-50)64-69-61(45-23-9-3-10-24-45)66-62(70-64)46-25-11-4-12-26-46/h1-40H
InChIKeyHNKGUUBDCAXJLK-UHFFFAOYSA-N
XLogP16.01
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.01
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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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233354
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
2-[4-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233412
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-phenylquinazoline
CID 152898383
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 58233244) is 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-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)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c(-c5ccc6ccccc6c5)c4c3)n2)cc1.
What is the InChIKey of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HNKGUUBDCAXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-5-19-43(20-6-1)59-65-60(44-21-7-2-8-22-44)68-63(67-59)51-33-35-53-55(39-51)57(49-31-29-41-17-13-15-27-47(41)37-49)54-36-34-52(40-56(54)58(53)50-32-30-42-18-14-16-28-48(42)38-50)64-69-61(45-23-9-3-10-24-45)66-62(70-64)46-25-11-4-12-26-46/h1-40H.
What are the key properties of 2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 893.07 g/mol, XLogP of 16.01, 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)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58233244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).