10-(3-methylphenyl)anthracene-9-carbonitrile

C22H15N — CID 170561667

IUPAC10-(3-methylphenyl)anthracene-9-carbonitrile
SMILESCc1cccc(-c2c3ccccc3c(C#N)c3ccccc23)c1
InChIInChI=1S/C22H15N/c1-15-7-6-8-16(13-15)22-19-11-4-2-9-17(19)21(14-23)18-10-3-5-12-20(18)22/h2-13H,1H3
InChIKeyGOZCPOQRJAPPGW-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.84
Rot. Bonds1

About 10-(3-methylphenyl)anthracene-9-carbonitrile

10-(3-methylphenyl)anthracene-9-carbonitrile (PubChem CID 170561667) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 10-(3-methylphenyl)anthracene-9-carbonitrile.

Molecular Properties

Compound Name10-(3-methylphenyl)anthracene-9-carbonitrile
PubChem CID170561667
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name10-(3-methylphenyl)anthracene-9-carbonitrile
SMILESCc1cccc(-c2c3ccccc3c(C#N)c3ccccc23)c1
InChIInChI=1S/C22H15N/c1-15-7-6-8-16(13-15)22-19-11-4-2-9-17(19)21(14-23)18-10-3-5-12-20(18)22/h2-13H,1H3
InChIKeyGOZCPOQRJAPPGW-UHFFFAOYSA-N
XLogP5.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.84
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

2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514383
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
9-(3-methylphenyl)-10-[3-(1,2,2-triphenylethenyl)phenyl]anthracene
CID 158189898
10-methylanthracene-9-carbonitrile
CID 12617916
3-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912

Frequently Asked Questions

What is the IUPAC name of 10-(3-methylphenyl)anthracene-9-carbonitrile?
The IUPAC name of 10-(3-methylphenyl)anthracene-9-carbonitrile (CID 170561667) is 10-(3-methylphenyl)anthracene-9-carbonitrile.
What is the SMILES notation for 10-(3-methylphenyl)anthracene-9-carbonitrile?
The canonical SMILES for 10-(3-methylphenyl)anthracene-9-carbonitrile is Cc1cccc(-c2c3ccccc3c(C#N)c3ccccc23)c1.
What is the InChIKey of 10-(3-methylphenyl)anthracene-9-carbonitrile?
The InChIKey is GOZCPOQRJAPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-15-7-6-8-16(13-15)22-19-11-4-2-9-17(19)21(14-23)18-10-3-5-12-20(18)22/h2-13H,1H3.
What are the key properties of 10-(3-methylphenyl)anthracene-9-carbonitrile?
10-(3-methylphenyl)anthracene-9-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylphenyl)anthracene-9-carbonitrile is sourced from PubChem (CID 170561667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).