4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile

C41H25N5 — CID 171588857

IUPAC4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C41H25N5/c42-25-27-16-18-28(19-17-27)37-35-14-6-4-12-33(35)34-13-5-7-15-36(34)38(37)29-20-22-31(23-21-29)40-44-39(30-9-2-1-3-10-30)45-41(46-40)32-11-8-24-43-26-32/h1-24,26H
InChIKeyVRDBLYQBYKTXSG-UHFFFAOYSA-N
MW587.69 g/mol
LogP9.78
Rot. Bonds5

About 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile

4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile (PubChem CID 171588857) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
PubChem CID171588857
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C41H25N5/c42-25-27-16-18-28(19-17-27)37-35-14-6-4-12-33(35)34-13-5-7-15-36(34)38(37)29-20-22-31(23-21-29)40-44-39(30-9-2-1-3-10-30)45-41(46-40)32-11-8-24-43-26-32/h1-24,26H
InChIKeyVRDBLYQBYKTXSG-UHFFFAOYSA-N
XLogP9.78
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-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

2,4-bis(4-phenylphenyl)-6-(10-phenyl-9-pyridin-3-ylphenanthren-2-yl)-1,3,5-triazine
CID 162392900
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[4-(2-phenylphenyl)-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 156547530
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
3-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-[4-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]naphthalene-1-carbonitrile
CID 158294530
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031234
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
4-(2,6-diphenylpyrimidin-4-yl)-6-[4-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridin-3-ylpyrimidin-4-yl]phenyl]-2-pyridin-3-ylpyrimidine
CID 167146178

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile?
The IUPAC name of 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile (CID 171588857) is 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile.
What is the SMILES notation for 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile?
The canonical SMILES for 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile is N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccnc5)n4)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile?
The InChIKey is VRDBLYQBYKTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c42-25-27-16-18-28(19-17-27)37-35-14-6-4-12-33(35)34-13-5-7-15-36(34)38(37)29-20-22-31(23-21-29)40-44-39(30-9-2-1-3-10-30)45-41(46-40)32-11-8-24-43-26-32/h1-24,26H.
What are the key properties of 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile?
4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile has a molecular weight of 587.69 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile is sourced from PubChem (CID 171588857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).