2,4,9-triphenylacridine

C31H21N — CID 132505003

IUPAC2,4,9-triphenylacridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C31H21N/c1-4-12-22(13-5-1)25-20-27(23-14-6-2-7-15-23)31-28(21-25)30(24-16-8-3-9-17-24)26-18-10-11-19-29(26)32-31/h1-21H
InChIKeyDLSOHJDKKJPMRA-UHFFFAOYSA-N
MW407.52 g/mol
LogP8.39
Rot. Bonds3

About 2,4,9-triphenylacridine

2,4,9-triphenylacridine (PubChem CID 132505003) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is 2,4,9-triphenylacridine.

Molecular Properties

Compound Name2,4,9-triphenylacridine
PubChem CID132505003
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Name2,4,9-triphenylacridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C31H21N/c1-4-12-22(13-5-1)25-20-27(23-14-6-2-7-15-23)31-28(21-25)30(24-16-8-3-9-17-24)26-18-10-11-19-29(26)32-31/h1-21H
InChIKeyDLSOHJDKKJPMRA-UHFFFAOYSA-N
XLogP8.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650
(4,6,8-triphenylquinolin-3-yl)methanol
CID 102334709
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;2-phenyl-7-[4-(6-phenylphenanthren-1-yl)phenyl]benzo[b][1,10]phenanthroline
CID 157079025
9-phenylacridin-4-ol
CID 59256664
2,4,6,8-tetraphenylquinazoline
CID 143301080
N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline
CID 56926132
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
9-[4-[2-(4-acridin-9-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]acridine;2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;4-[2-(4-cyanophenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]benzonitrile;4-[4-[2-[4-(4-cyanophenyl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]benzonitrile
CID 159272483
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
9-[8-(3,5-diphenylphenyl)-6-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837395
1,3-diphenylphenanthrene
CID 13011098

Frequently Asked Questions

What is the IUPAC name of 2,4,9-triphenylacridine?
The IUPAC name of 2,4,9-triphenylacridine (CID 132505003) is 2,4,9-triphenylacridine.
What is the SMILES notation for 2,4,9-triphenylacridine?
The canonical SMILES for 2,4,9-triphenylacridine is c1ccc(-c2cc(-c3ccccc3)c3nc4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2,4,9-triphenylacridine?
The InChIKey is DLSOHJDKKJPMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-4-12-22(13-5-1)25-20-27(23-14-6-2-7-15-23)31-28(21-25)30(24-16-8-3-9-17-24)26-18-10-11-19-29(26)32-31/h1-21H.
What are the key properties of 2,4,9-triphenylacridine?
2,4,9-triphenylacridine has a molecular weight of 407.52 g/mol, XLogP of 8.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-triphenylacridine is sourced from PubChem (CID 132505003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).