2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one

C40H26N4O — CID 89182993

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12
InChIInChI=1S/C40H26N4O/c45-37-33-21-10-11-22-35(33)44(32-19-8-3-9-20-32)36-24-23-30(26-34(36)37)29-17-12-18-31(25-29)40-42-38(27-13-4-1-5-14-27)41-39(43-40)28-15-6-2-7-16-28/h1-26H
InChIKeyDSNDAPJOCIPKQD-UHFFFAOYSA-N
MW578.68 g/mol
LogP9.00
Rot. Bonds5

About 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one (PubChem CID 89182993) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one
PubChem CID89182993
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12
InChIInChI=1S/C40H26N4O/c45-37-33-21-10-11-22-35(33)44(32-19-8-3-9-20-32)36-24-23-30(26-34(36)37)29-17-12-18-31(25-29)40-42-38(27-13-4-1-5-14-27)41-39(43-40)28-15-6-2-7-16-28/h1-26H
InChIKeyDSNDAPJOCIPKQD-UHFFFAOYSA-N
XLogP9.00
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one (CID 89182993) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one is O=c1c2ccccc2n(-c2ccccc2)c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc12.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one?
The InChIKey is DSNDAPJOCIPKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c45-37-33-21-10-11-22-35(33)44(32-19-8-3-9-20-32)36-24-23-30(26-34(36)37)29-17-12-18-31(25-29)40-42-38(27-13-4-1-5-14-27)41-39(43-40)28-15-6-2-7-16-28/h1-26H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one has a molecular weight of 578.68 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylacridin-9-one is sourced from PubChem (CID 89182993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).