5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline

C35H22N6 — CID 176785202

IUPAC5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(-c4ccccc4-n4nc5ccccc5n4)cc4ccc(-c5ccccn5)nc4c3n2)cc1
InChIInChI=1S/C35H22N6/c1-2-10-23(11-3-1)28-20-18-26-27(25-12-4-7-16-33(25)41-39-31-14-5-6-15-32(31)40-41)22-24-17-19-30(29-13-8-9-21-36-29)38-34(24)35(26)37-28/h1-22H
InChIKeyNLJOYVWUQGSHLD-UHFFFAOYSA-N
MW526.60 g/mol
LogP7.91
Rot. Bonds4

About 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline

5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 176785202) has the molecular formula C35H22N6 and a molecular weight of 526.60 g/mol. Its IUPAC name is 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID176785202
Molecular FormulaC35H22N6
Molecular Weight526.60 g/mol
Exact Mass526.19
IUPAC Name5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(-c4ccccc4-n4nc5ccccc5n4)cc4ccc(-c5ccccn5)nc4c3n2)cc1
InChIInChI=1S/C35H22N6/c1-2-10-23(11-3-1)28-20-18-26-27(25-12-4-7-16-33(25)41-39-31-14-5-6-15-32(31)40-41)22-24-17-19-30(29-13-8-9-21-36-29)38-34(24)35(26)37-28/h1-22H
InChIKeyNLJOYVWUQGSHLD-UHFFFAOYSA-N
XLogP7.91
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline 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-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171731995
2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 129208722
5-[4-[3-(benzotriazol-2-yl)phenyl]phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 176785106
2-(2-phenylbenzotriazol-5-yl)-9-pyridin-2-yl-1,10-phenanthroline
CID 176785251
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732099
2-[3-(1,10-phenanthrolin-2-yl)-5-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[3-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165006532
7-naphthalen-2-yl-2-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 139445804
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802
5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 90050350

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline (CID 176785202) is 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3c(-c4ccccc4-n4nc5ccccc5n4)cc4ccc(-c5ccccn5)nc4c3n2)cc1.
What is the InChIKey of 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is NLJOYVWUQGSHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N6/c1-2-10-23(11-3-1)28-20-18-26-27(25-12-4-7-16-33(25)41-39-31-14-5-6-15-32(31)40-41)22-24-17-19-30(29-13-8-9-21-36-29)38-34(24)35(26)37-28/h1-22H.
What are the key properties of 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline?
5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 526.60 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzotriazol-2-yl)phenyl]-2-phenyl-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 176785202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).