3-(10-phenylanthracen-9-yl)benzonitrile

C27H17N — CID 89026886

IUPAC3-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C27H17N/c28-18-19-9-8-12-21(17-19)27-24-15-6-4-13-22(24)26(20-10-2-1-3-11-20)23-14-5-7-16-25(23)27/h1-17H
InChIKeyCETROTHWWCEBEE-UHFFFAOYSA-N
MW355.44 g/mol
LogP7.20
Rot. Bonds2

About 3-(10-phenylanthracen-9-yl)benzonitrile

3-(10-phenylanthracen-9-yl)benzonitrile (PubChem CID 89026886) has the molecular formula C27H17N and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(10-phenylanthracen-9-yl)benzonitrile.

Molecular Properties

Compound Name3-(10-phenylanthracen-9-yl)benzonitrile
PubChem CID89026886
Molecular FormulaC27H17N
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name3-(10-phenylanthracen-9-yl)benzonitrile
SMILESN#Cc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C27H17N/c28-18-19-9-8-12-21(17-19)27-24-15-6-4-13-22(24)26(20-10-2-1-3-11-20)23-14-5-7-16-25(23)27/h1-17H
InChIKeyCETROTHWWCEBEE-UHFFFAOYSA-N
XLogP7.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(10-phenylanthracen-9-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
3-[10-(3-cyanophenyl)-3-(N-[4-(N-phenylanilino)phenyl]anilino)anthracen-9-yl]benzonitrile
CID 88569831
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938
3-(3-methyl-1-oxo-2H-isoquinolin-4-yl)benzonitrile
CID 11694572
3-(2-sulfanylnaphthalen-1-yl)benzonitrile
CID 175013764
3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(2,6-dibromophenyl)benzonitrile
CID 153317641
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096

Frequently Asked Questions

What is the IUPAC name of 3-(10-phenylanthracen-9-yl)benzonitrile?
The IUPAC name of 3-(10-phenylanthracen-9-yl)benzonitrile (CID 89026886) is 3-(10-phenylanthracen-9-yl)benzonitrile.
What is the SMILES notation for 3-(10-phenylanthracen-9-yl)benzonitrile?
The canonical SMILES for 3-(10-phenylanthracen-9-yl)benzonitrile is N#Cc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of 3-(10-phenylanthracen-9-yl)benzonitrile?
The InChIKey is CETROTHWWCEBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N/c28-18-19-9-8-12-21(17-19)27-24-15-6-4-13-22(24)26(20-10-2-1-3-11-20)23-14-5-7-16-25(23)27/h1-17H.
What are the key properties of 3-(10-phenylanthracen-9-yl)benzonitrile?
3-(10-phenylanthracen-9-yl)benzonitrile has a molecular weight of 355.44 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-phenylanthracen-9-yl)benzonitrile is sourced from PubChem (CID 89026886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).