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

C58H36N4 — CID 154599225

IUPAC6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2cc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8cc9ccccc9cc8c7)cc6)nc(-c6ccc(-c7ccc8ncccc8c7)cc6)n5)cc4)ccc3cc2c1
InChIInChI=1S/C58H36N4/c1-3-8-45-33-53-35-47(23-25-50(53)30-43(45)6-1)37-11-17-40(18-12-37)56-60-57(62-58(61-56)42-21-15-39(16-22-42)49-27-28-55-52(32-49)10-5-29-59-55)41-19-13-38(14-20-41)48-24-26-51-31-44-7-2-4-9-46(44)34-54(51)36-48/h1-36H
InChIKeyNLHNXBPPQQJYFQ-UHFFFAOYSA-N
MW788.95 g/mol
LogP15.03
Rot. Bonds6

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

6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 154599225) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID154599225
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2cc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8cc9ccccc9cc8c7)cc6)nc(-c6ccc(-c7ccc8ncccc8c7)cc6)n5)cc4)ccc3cc2c1
InChIInChI=1S/C58H36N4/c1-3-8-45-33-53-35-47(23-25-50(53)30-43(45)6-1)37-11-17-40(18-12-37)56-60-57(62-58(61-56)42-21-15-39(16-22-42)49-27-28-55-52(32-49)10-5-29-59-55)41-19-13-38(14-20-41)48-24-26-51-31-44-7-2-4-9-46(44)34-54(51)36-48/h1-36H
InChIKeyNLHNXBPPQQJYFQ-UHFFFAOYSA-N
XLogP15.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine;2-[3,5-di(anthracen-2-yl)phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine;6-[4-[3,5-di(anthracen-2-yl)phenyl]-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 158091241
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
2-[4-acridin-2-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]acridine;8-[4-benzo[g]quinolin-8-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-benzo[g]quinoxalin-7-yl-6-[3,5-di(anthracen-2-yl)phenyl]-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 158963319
2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 159939622
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 154599225) is 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc2cc3cc(-c4ccc(-c5nc(-c6ccc(-c7ccc8cc9ccccc9cc8c7)cc6)nc(-c6ccc(-c7ccc8ncccc8c7)cc6)n5)cc4)ccc3cc2c1.
What is the InChIKey of 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is NLHNXBPPQQJYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-3-8-45-33-53-35-47(23-25-50(53)30-43(45)6-1)37-11-17-40(18-12-37)56-60-57(62-58(61-56)42-21-15-39(16-22-42)49-27-28-55-52(32-49)10-5-29-59-55)41-19-13-38(14-20-41)48-24-26-51-31-44-7-2-4-9-46(44)34-54(51)36-48/h1-36H.
What are the key properties of 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 788.95 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 154599225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).