1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile

C26H17N2+ — CID 71344266

IUPAC1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile
SMILESN#Cc1cc[n+](-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H17N2/c27-18-19-14-16-28(17-15-19)26-23-12-6-4-10-21(23)25(20-8-2-1-3-9-20)22-11-5-7-13-24(22)26/h1-17H/q+1
InChIKeyUGSQMBWPJITJTR-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.81
Rot. Bonds2

About 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile

1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile (PubChem CID 71344266) has the molecular formula C26H17N2+ and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile.

Molecular Properties

Compound Name1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile
PubChem CID71344266
Molecular FormulaC26H17N2+
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile
SMILESN#Cc1cc[n+](-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C26H17N2/c27-18-19-14-16-28(17-15-19)26-23-12-6-4-10-21(23)25(20-8-2-1-3-9-20)22-11-5-7-13-24(22)26/h1-17H/q+1
InChIKeyUGSQMBWPJITJTR-UHFFFAOYSA-N
XLogP5.81
TPSA27.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]benzonitrile
CID 155456746
4-[10-[4-(1,2,2-triphenylethenyl)phenyl]anthracen-9-yl]benzonitrile
CID 138552651
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
1-(10-pyridin-1-ium-1-ylanthracen-9-yl)pyridin-1-ium iodide
CID 54603122
(14N)benzonitrile
CID 102268532
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile?
The IUPAC name of 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile (CID 71344266) is 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile.
What is the SMILES notation for 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile?
The canonical SMILES for 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile is N#Cc1cc[n+](-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile?
The InChIKey is UGSQMBWPJITJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N2/c27-18-19-14-16-28(17-15-19)26-23-12-6-4-10-21(23)25(20-8-2-1-3-9-20)22-11-5-7-13-24(22)26/h1-17H/q+1.
What are the key properties of 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile?
1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile has a molecular weight of 357.44 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenylanthracen-9-yl)pyridin-1-ium-4-carbonitrile is sourced from PubChem (CID 71344266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).