2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline

C31H19N3 — CID 171732364

IUPAC2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6cc6ccccc56)nc4c3n2)nc1
InChIInChI=1S/C31H19N3/c1-3-9-24-22(7-1)19-23-8-2-4-10-25(23)29(24)28-17-15-21-13-12-20-14-16-27(26-11-5-6-18-32-26)33-30(20)31(21)34-28/h1-19H
InChIKeySSUNSHSBRGVOIV-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.82
Rot. Bonds2

About 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline

2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 171732364) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID171732364
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6cc6ccccc56)nc4c3n2)nc1
InChIInChI=1S/C31H19N3/c1-3-9-24-22(7-1)19-23-8-2-4-10-25(23)29(24)28-17-15-21-13-12-20-14-16-27(26-11-5-6-18-32-26)33-30(20)31(21)34-28/h1-19H
InChIKeySSUNSHSBRGVOIV-UHFFFAOYSA-N
XLogP7.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-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-benzo[a]anthracen-7-ylpyridine
CID 154825161
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
2-chloro-9-pyridin-2-yl-1,10-phenanthroline
CID 170902643
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-(4-anthracen-9-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 102088203
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445841
5-pyridin-2-yl-6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 102037216
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
2-[3-(2,4-dipyridin-2-ylquinazolin-8-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 176785327
1-[2-hydroxy-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-3-(6-pyridin-2-yl-2-pyridinyl)naphthalen-2-ol
CID 177474104

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline (CID 171732364) is 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6cc6ccccc56)nc4c3n2)nc1.
What is the InChIKey of 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is SSUNSHSBRGVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-3-9-24-22(7-1)19-23-8-2-4-10-25(23)29(24)28-17-15-21-13-12-20-14-16-27(26-11-5-6-18-32-26)33-30(20)31(21)34-28/h1-19H.
What are the key properties of 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline?
2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 433.51 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 171732364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).