2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

C70H42N6 — CID 153465963

IUPAC2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5c6ccccc6cc6ccccc56)c4)nc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)n3)ccc2c1
InChIInChI=1S/C70H42N6/c1-4-18-46-35-53(32-29-43(46)15-1)65-71-66(54-33-30-44-16-2-5-19-47(44)36-54)74-69(73-65)70-75-67(55-34-31-45-17-3-6-20-48(45)37-55)72-68(76-70)58-41-56(63-59-25-11-7-21-49(59)38-50-22-8-12-26-60(50)63)40-57(42-58)64-61-27-13-9-23-51(61)39-52-24-10-14-28-62(52)64/h1-42H
InChIKeyJGJNDHXHDHGDKY-UHFFFAOYSA-N
MW967.15 g/mol
LogP17.80
Rot. Bonds7

About 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 153465963) has the molecular formula C70H42N6 and a molecular weight of 967.15 g/mol. Its IUPAC name is 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID153465963
Molecular FormulaC70H42N6
Molecular Weight967.15 g/mol
Exact Mass966.35
IUPAC Name2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5c6ccccc6cc6ccccc56)c4)nc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)n3)ccc2c1
InChIInChI=1S/C70H42N6/c1-4-18-46-35-53(32-29-43(46)15-1)65-71-66(54-33-30-44-16-2-5-19-47(44)36-54)74-69(73-65)70-75-67(55-34-31-45-17-3-6-20-48(45)37-55)72-68(76-70)58-41-56(63-59-25-11-7-21-49(59)38-50-22-8-12-26-60(50)63)40-57(42-58)64-61-27-13-9-23-51(61)39-52-24-10-14-28-62(52)64/h1-42H
InChIKeyJGJNDHXHDHGDKY-UHFFFAOYSA-N
XLogP17.80
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.15
LogP ≤ 517.80
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-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
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
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-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
4-anthracen-9-yl-2-[4-[4-(4-anthracen-9-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylpyrimidine
CID 88557833
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
2-phenanthren-2-yl-4-phenanthren-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598294
2-anthracen-2-yl-4-phenanthren-2-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598343

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 153465963) is 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cc(-c5c6ccccc6cc6ccccc56)cc(-c5c6ccccc6cc6ccccc56)c4)nc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)n3)ccc2c1.
What is the InChIKey of 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is JGJNDHXHDHGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N6/c1-4-18-46-35-53(32-29-43(46)15-1)65-71-66(54-33-30-44-16-2-5-19-47(44)36-54)74-69(73-65)70-75-67(55-34-31-45-17-3-6-20-48(45)37-55)72-68(76-70)58-41-56(63-59-25-11-7-21-49(59)38-50-22-8-12-26-60(50)63)40-57(42-58)64-61-27-13-9-23-51(61)39-52-24-10-14-28-62(52)64/h1-42H.
What are the key properties of 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 967.15 g/mol, XLogP of 17.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(anthracen-9-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 153465963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).