5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol

C38H24N4O — CID 89211593

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12
InChIInChI=1S/C38H24N4O/c43-33-20-19-31(32-16-9-21-39-35(32)33)34-29-15-8-7-14-26(29)22-28-23-27(17-18-30(28)34)38-41-36(24-10-3-1-4-11-24)40-37(42-38)25-12-5-2-6-13-25/h1-23,43H
InChIKeyQNURQTPWVNVHBJ-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.10
Rot. Bonds4

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol (PubChem CID 89211593) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
PubChem CID89211593
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
SMILESOc1ccc(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12
InChIInChI=1S/C38H24N4O/c43-33-20-19-31(32-16-9-21-39-35(32)33)34-29-15-8-7-14-26(29)22-28-23-27(17-18-30(28)34)38-41-36(24-10-3-1-4-11-24)40-37(42-38)25-12-5-2-6-13-25/h1-23,43H
InChIKeyQNURQTPWVNVHBJ-UHFFFAOYSA-N
XLogP9.10
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
CID 89211629
bis(5-phenylquinolin-8-ol);zinc
CID 59818569
5-(4-pyrimidin-5-ylbenzo[a]anthracen-7-yl)quinolin-8-ol
CID 89211667
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
5-[3-(4-benzo[g]quinolin-10-yl-6-phenyl-1,3,5-triazin-2-yl)-5-benzo[h]quinolin-5-ylphenyl]-1,10-phenanthroline
CID 153466085
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
7-[3-(2,6-diphenylpyrimidin-4-yl)-10-(8-hydroxyquinolin-7-yl)anthracen-9-yl]quinolin-8-ol
CID 136502667
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
3-(4-anthracen-9-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 145221321
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol (CID 89211593) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol is Oc1ccc(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)c2cccnc12.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The InChIKey is QNURQTPWVNVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c43-33-20-19-31(32-16-9-21-39-35(32)33)34-29-15-8-7-14-26(29)22-28-23-27(17-18-30(28)34)38-41-36(24-10-3-1-4-11-24)40-37(42-38)25-12-5-2-6-13-25/h1-23,43H.
What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol has a molecular weight of 552.64 g/mol, XLogP of 9.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 89211593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).