11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline

C27H15N3O — CID 138661744

IUPAC11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline
SMILESc1cnc2c(c1)ccc1ccc(-c3c4ccccc4nc4c3oc3ccccc34)nc12
InChIInChI=1S/C27H15N3O/c1-3-9-20-18(7-1)23(27-26(29-20)19-8-2-4-10-22(19)31-27)21-14-13-17-12-11-16-6-5-15-28-24(16)25(17)30-21/h1-15H
InChIKeyWZFAVXWXQPOTHG-UHFFFAOYSA-N
MW397.44 g/mol
LogP6.90
Rot. Bonds1

About 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline

11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661744) has the molecular formula C27H15N3O and a molecular weight of 397.44 g/mol. Its IUPAC name is 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline
PubChem CID138661744
Molecular FormulaC27H15N3O
Molecular Weight397.44 g/mol
Exact Mass397.12
IUPAC Name11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline
SMILESc1cnc2c(c1)ccc1ccc(-c3c4ccccc4nc4c3oc3ccccc34)nc12
InChIInChI=1S/C27H15N3O/c1-3-9-20-18(7-1)23(27-26(29-20)19-8-2-4-10-22(19)31-27)21-14-13-17-12-11-16-6-5-15-28-24(16)25(17)30-21/h1-15H
InChIKeyWZFAVXWXQPOTHG-UHFFFAOYSA-N
XLogP6.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.44
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline 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

3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
11-(1,10-phenanthrolin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513096
7-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]benzo[b][1,10]phenanthroline
CID 139445698
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline
CID 152873116

Frequently Asked Questions

What is the IUPAC name of 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline (CID 138661744) is 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline is c1cnc2c(c1)ccc1ccc(-c3c4ccccc4nc4c3oc3ccccc34)nc12.
What is the InChIKey of 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline?
The InChIKey is WZFAVXWXQPOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N3O/c1-3-9-20-18(7-1)23(27-26(29-20)19-8-2-4-10-22(19)31-27)21-14-13-17-12-11-16-6-5-15-28-24(16)25(17)30-21/h1-15H.
What are the key properties of 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline?
11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline has a molecular weight of 397.44 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,10-phenanthrolin-2-yl)-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).