2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline

C35H20BrN3 — CID 129208162

IUPAC2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
SMILESBrc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc2c1
InChIInChI=1S/C35H20BrN3/c36-24-15-18-29-23(20-24)14-17-30(38-29)32-25-7-1-3-9-27(25)33(28-10-4-2-8-26(28)32)31-16-13-22-12-11-21-6-5-19-37-34(21)35(22)39-31/h1-20H
InChIKeyQMMKDTHASPOZIQ-UHFFFAOYSA-N
MW562.47 g/mol
LogP9.73
Rot. Bonds2

About 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline

2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline (PubChem CID 129208162) has the molecular formula C35H20BrN3 and a molecular weight of 562.47 g/mol. Its IUPAC name is 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
PubChem CID129208162
Molecular FormulaC35H20BrN3
Molecular Weight562.47 g/mol
Exact Mass561.08
IUPAC Name2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline
SMILESBrc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc2c1
InChIInChI=1S/C35H20BrN3/c36-24-15-18-29-23(20-24)14-17-30(38-29)32-25-7-1-3-9-27(25)33(28-10-4-2-8-26(28)32)31-16-13-22-12-11-21-6-5-19-37-34(21)35(22)39-31/h1-20H
InChIKeyQMMKDTHASPOZIQ-UHFFFAOYSA-N
XLogP9.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.47
LogP ≤ 59.73
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-[10-(6-bromoquinolin-2-yl)anthracen-9-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

Frequently Asked Questions

What is the IUPAC name of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline (CID 129208162) is 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline is Brc1ccc2nc(-c3c4ccccc4c(-c4ccc5ccc6cccnc6c5n4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
The InChIKey is QMMKDTHASPOZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20BrN3/c36-24-15-18-29-23(20-24)14-17-30(38-29)32-25-7-1-3-9-27(25)33(28-10-4-2-8-26(28)32)31-16-13-22-12-11-21-6-5-19-37-34(21)35(22)39-31/h1-20H.
What are the key properties of 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline?
2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline has a molecular weight of 562.47 g/mol, XLogP of 9.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(6-bromoquinolin-2-yl)anthracen-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 129208162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).