8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

C52H32N4 — CID 153466143

IUPAC8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5cc6ccccc6cc45)cc(-c4cccc5cc6ccccc6cc45)c3)nc(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-34(13-3-1)50-54-51(56-52(55-50)46-24-8-18-33-21-11-25-53-49(33)46)43-29-41(44-22-9-19-39-26-35-14-4-6-16-37(35)31-47(39)44)28-42(30-43)45-23-10-20-40-27-36-15-5-7-17-38(36)32-48(40)45/h1-32H
InChIKeyAWMQCXKJJNRWCJ-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.37
Rot. Bonds5

About 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (PubChem CID 153466143) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
PubChem CID153466143
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5cc6ccccc6cc45)cc(-c4cccc5cc6ccccc6cc45)c3)nc(-c3cccc4cccnc34)n2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-34(13-3-1)50-54-51(56-52(55-50)46-24-8-18-33-21-11-25-53-49(33)46)43-29-41(44-22-9-19-39-26-35-14-4-6-16-37(35)31-47(39)44)28-42(30-43)45-23-10-20-40-27-36-15-5-7-17-38(36)32-48(40)45/h1-32H
InChIKeyAWMQCXKJJNRWCJ-UHFFFAOYSA-N
XLogP13.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline with MolForge

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Related Compounds

8-[4-phenyl-6-[6-(4-phenyl-6-quinolin-8-yl-1,3,5-triazin-2-yl)pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 146230600
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]-1,10-phenanthroline
CID 129201375
8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
CID 146190609
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 146964994
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
hydron;1-phenylanthracene
CID 174351162
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (CID 153466143) is 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2nc(-c3cc(-c4cccc5cc6ccccc6cc45)cc(-c4cccc5cc6ccccc6cc45)c3)nc(-c3cccc4cccnc34)n2)cc1.
What is the InChIKey of 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is AWMQCXKJJNRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-12-34(13-3-1)50-54-51(56-52(55-50)46-24-8-18-33-21-11-25-53-49(33)46)43-29-41(44-22-9-19-39-26-35-14-4-6-16-37(35)31-47(39)44)28-42(30-43)45-23-10-20-40-27-36-15-5-7-17-38(36)32-48(40)45/h1-32H.
What are the key properties of 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 712.86 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 153466143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).