4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile

C39H23N3 — CID 146654069

IUPAC4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3ccc(-c4ccc5ccccc5c4-c4ccc5ccc6cccnc6c5n4)cc23)cc1
InChIInChI=1S/C39H23N3/c40-24-25-10-12-28(13-11-25)32-9-3-6-27-14-17-31(23-35(27)32)34-20-18-26-5-1-2-8-33(26)37(34)36-21-19-30-16-15-29-7-4-22-41-38(29)39(30)42-36/h1-23H
InChIKeyBFSKUTSAHOEEFS-UHFFFAOYSA-N
MW533.63 g/mol
LogP9.96
Rot. Bonds3

About 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile

4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile (PubChem CID 146654069) has the molecular formula C39H23N3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
PubChem CID146654069
Molecular FormulaC39H23N3
Molecular Weight533.63 g/mol
Exact Mass533.19
IUPAC Name4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3ccc(-c4ccc5ccccc5c4-c4ccc5ccc6cccnc6c5n4)cc23)cc1
InChIInChI=1S/C39H23N3/c40-24-25-10-12-28(13-11-25)32-9-3-6-27-14-17-31(23-35(27)32)34-20-18-26-5-1-2-8-33(26)37(34)36-21-19-30-16-15-29-7-4-22-41-38(29)39(30)42-36/h1-23H
InChIKeyBFSKUTSAHOEEFS-UHFFFAOYSA-N
XLogP9.96
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-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

4-[3-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654272
4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654066
4-[3-benzo[h]quinolin-10-yl-10-(4-cyanophenyl)anthracen-9-yl]benzonitrile
CID 58323720
4-[3-[3-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654295
4-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-1-yl]benzonitrile
CID 146990897
4-[6-[4-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654265
5-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline-10-carbonitrile
CID 137472831
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[10-(2,6-diphenylphenyl)anthracen-9-yl]-1,10-phenanthroline
CID 176639413
4-[4-[4,6-bis[4-(1,10-phenanthrolin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 137489964
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621

Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?
The IUPAC name of 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile (CID 146654069) is 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile.
What is the SMILES notation for 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?
The canonical SMILES for 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile is N#Cc1ccc(-c2cccc3ccc(-c4ccc5ccccc5c4-c4ccc5ccc6cccnc6c5n4)cc23)cc1.
What is the InChIKey of 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?
The InChIKey is BFSKUTSAHOEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3/c40-24-25-10-12-28(13-11-25)32-9-3-6-27-14-17-31(23-35(27)32)34-20-18-26-5-1-2-8-33(26)37(34)36-21-19-30-16-15-29-7-4-22-41-38(29)39(30)42-36/h1-23H.
What are the key properties of 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile?
4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile has a molecular weight of 533.63 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile is sourced from PubChem (CID 146654069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).