2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile

C44H26N4 — CID 126541941

IUPAC2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(C#N)ccn5)cc4)c4cc(-c5ccccc5)ccc34)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-22-47-41(24-29)32-10-14-34(15-11-32)43-37-8-4-5-9-38(37)44(40-26-36(18-19-39(40)43)31-6-2-1-3-7-31)35-16-12-33(13-17-35)42-25-30(28-46)21-23-48-42/h1-26H
InChIKeyIMHNQXHIKBRMRZ-UHFFFAOYSA-N
MW610.72 g/mol
LogP10.86
Rot. Bonds5

About 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile

2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile (PubChem CID 126541941) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
PubChem CID126541941
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(C#N)ccn5)cc4)c4cc(-c5ccccc5)ccc34)cc2)c1
InChIInChI=1S/C44H26N4/c45-27-29-20-22-47-41(24-29)32-10-14-34(15-11-32)43-37-8-4-5-9-38(37)44(40-26-36(18-19-39(40)43)31-6-2-1-3-7-31)35-16-12-33(13-17-35)42-25-30(28-46)21-23-48-42/h1-26H
InChIKeyIMHNQXHIKBRMRZ-UHFFFAOYSA-N
XLogP10.86
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile 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-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 140769539
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyrimidine
CID 90361680
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile (CID 126541941) is 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(C#N)ccn5)cc4)c4cc(-c5ccccc5)ccc34)cc2)c1.
What is the InChIKey of 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile?
The InChIKey is IMHNQXHIKBRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c45-27-29-20-22-47-41(24-29)32-10-14-34(15-11-32)43-37-8-4-5-9-38(37)44(40-26-36(18-19-39(40)43)31-6-2-1-3-7-31)35-16-12-33(13-17-35)42-25-30(28-46)21-23-48-42/h1-26H.
What are the key properties of 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile?
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile has a molecular weight of 610.72 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 126541941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).