4-(4-phenoxazin-10-ylbenzoyl)benzonitrile

C26H16N2O2 — CID 140898234

IUPAC4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C26H16N2O2/c27-17-18-9-11-19(12-10-18)26(29)20-13-15-21(16-14-20)28-22-5-1-3-7-24(22)30-25-8-4-2-6-23(25)28/h1-16H
InChIKeyGCTNFHPSJIKGPA-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.36
Rot. Bonds3

About 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile

4-(4-phenoxazin-10-ylbenzoyl)benzonitrile (PubChem CID 140898234) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile.

Molecular Properties

Compound Name4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
PubChem CID140898234
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
SMILESN#Cc1ccc(C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C26H16N2O2/c27-17-18-9-11-19(12-10-18)26(29)20-13-15-21(16-14-20)28-22-5-1-3-7-24(22)30-25-8-4-2-6-23(25)28/h1-16H
InChIKeyGCTNFHPSJIKGPA-UHFFFAOYSA-N
XLogP6.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
4-[(4-cyanophenyl)-[3,5-di(phenoxazin-10-yl)phenyl]methyl]benzonitrile
CID 154990028
1-(4-phenoxazin-10-ylphenyl)pentan-1-one
CID 140927761
[4-(5,6-dihydrobenzo[b][1]benzoxepin-5-yl)phenyl]-[4-(4-phenoxazin-10-ylbenzoyl)phenyl]methanone
CID 134602796
(2-phenoxazin-10-ylphenyl)-phenylmethanone
CID 121420431
10-(4-fluorophenyl)phenoxazine
CID 141389969
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
ethane;10-phenylphenoxazine
CID 123756019
5,17-di(phenoxazin-10-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-11-carbonitrile
CID 163512312
3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
CID 135273556
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile?
The IUPAC name of 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile (CID 140898234) is 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile.
What is the SMILES notation for 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile?
The canonical SMILES for 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile is N#Cc1ccc(C(=O)c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile?
The InChIKey is GCTNFHPSJIKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c27-17-18-9-11-19(12-10-18)26(29)20-13-15-21(16-14-20)28-22-5-1-3-7-24(22)30-25-8-4-2-6-23(25)28/h1-16H.
What are the key properties of 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile?
4-(4-phenoxazin-10-ylbenzoyl)benzonitrile has a molecular weight of 388.43 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxazin-10-ylbenzoyl)benzonitrile is sourced from PubChem (CID 140898234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).