10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one

C26H16N2O2 — CID 118335134

IUPAC10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc12
InChIInChI=1S/C26H16N2O2/c29-25-19-7-1-4-10-22(19)28(23-11-5-2-8-20(23)25)18-15-13-17(14-16-18)26-27-21-9-3-6-12-24(21)30-26/h1-16H
InChIKeyFHZMHQCVNSJVMH-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.95
Rot. Bonds2

About 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one

10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one (PubChem CID 118335134) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
PubChem CID118335134
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
SMILESO=c1c2ccccc2n(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc12
InChIInChI=1S/C26H16N2O2/c29-25-19-7-1-4-10-22(19)28(23-11-5-2-8-20(23)25)18-15-13-17(14-16-18)26-27-21-9-3-6-12-24(21)30-26/h1-16H
InChIKeyFHZMHQCVNSJVMH-UHFFFAOYSA-N
XLogP5.95
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.95
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

2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
2-[4-(25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaen-9-yl)phenyl]-1,3-benzoxazole
CID 144696804
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one?
The IUPAC name of 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one (CID 118335134) is 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one.
What is the SMILES notation for 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one?
The canonical SMILES for 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one is O=c1c2ccccc2n(-c2ccc(-c3nc4ccccc4o3)cc2)c2ccccc12.
What is the InChIKey of 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one?
The InChIKey is FHZMHQCVNSJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c29-25-19-7-1-4-10-22(19)28(23-11-5-2-8-20(23)25)18-15-13-17(14-16-18)26-27-21-9-3-6-12-24(21)30-26/h1-16H.
What are the key properties of 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one?
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one has a molecular weight of 388.43 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one is sourced from PubChem (CID 118335134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).