2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile

C40H24N6 — CID 144925313

IUPAC2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4c5ccccc5c5ccc(C6=CNC(c7cc(C#N)ccn7)C=C6)cc5c4c3)cn2)c1
InChIInChI=1S/C40H24N6/c41-21-25-13-15-43-39(17-25)37-11-7-29(23-45-37)27-5-9-33-31-3-1-2-4-32(31)34-10-6-28(20-36(34)35(33)19-27)30-8-12-38(46-24-30)40-18-26(22-42)14-16-44-40/h1-20,23-24,37,45H
InChIKeyBVTWHIOQTUKTDS-UHFFFAOYSA-N
MW588.67 g/mol
LogP8.65
Rot. Bonds4

About 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile

2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile (PubChem CID 144925313) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile
PubChem CID144925313
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4c5ccccc5c5ccc(C6=CNC(c7cc(C#N)ccn7)C=C6)cc5c4c3)cn2)c1
InChIInChI=1S/C40H24N6/c41-21-25-13-15-43-39(17-25)37-11-7-29(23-45-37)27-5-9-33-31-3-1-2-4-32(31)34-10-6-28(20-36(34)35(33)19-27)30-8-12-38(46-24-30)40-18-26(22-42)14-16-44-40/h1-20,23-24,37,45H
InChIKeyBVTWHIOQTUKTDS-UHFFFAOYSA-N
XLogP8.65
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]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

2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397435
2-[5-[9-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 126542247
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-[5-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397550
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
2-[5-[15-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397792
2-(5-pyren-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397170
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[6-[10-[5-(4-isocyano-2-pyridinyl)-2-pyridinyl]-2-phenylanthracen-9-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 140769539
2-[5-(7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397522
2-[5-[12-[6-(4-isocyano-2-pyridinyl)-3-pyridinyl]tetracen-5-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 140768978

Frequently Asked Questions

What is the IUPAC name of 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile (CID 144925313) is 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3ccc4c5ccccc5c5ccc(C6=CNC(c7cc(C#N)ccn7)C=C6)cc5c4c3)cn2)c1.
What is the InChIKey of 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile?
The InChIKey is BVTWHIOQTUKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c41-21-25-13-15-43-39(17-25)37-11-7-29(23-45-37)27-5-9-33-31-3-1-2-4-32(31)34-10-6-28(20-36(34)35(33)19-27)30-8-12-38(46-24-30)40-18-26(22-42)14-16-44-40/h1-20,23-24,37,45H.
What are the key properties of 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile?
2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile has a molecular weight of 588.67 g/mol, XLogP of 8.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 144925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).