9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline

C50H29FN4 — CID 137472728

IUPAC9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
SMILESFc1ccc2nc3c(cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc56)cc4)c4cccnc43)cc2c1
InChIInChI=1S/C50H29FN4/c51-38-20-24-46-36(28-38)27-37-29-44(43-8-4-26-53-50(43)49(37)55-46)32-11-9-30(10-12-32)39-21-22-40(42-7-2-1-6-41(39)42)31-13-15-33(16-14-31)45-23-19-35-18-17-34-5-3-25-52-47(34)48(35)54-45/h1-29H
InChIKeyFYXRBQYCOGVBJM-UHFFFAOYSA-N
MW704.81 g/mol
LogP12.99
Rot. Bonds4

About 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline

9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline (PubChem CID 137472728) has the molecular formula C50H29FN4 and a molecular weight of 704.81 g/mol. Its IUPAC name is 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
PubChem CID137472728
Molecular FormulaC50H29FN4
Molecular Weight704.81 g/mol
Exact Mass704.24
IUPAC Name9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
SMILESFc1ccc2nc3c(cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc56)cc4)c4cccnc43)cc2c1
InChIInChI=1S/C50H29FN4/c51-38-20-24-46-36(28-38)27-37-29-44(43-8-4-26-53-50(43)49(37)55-46)32-11-9-30(10-12-32)39-21-22-40(42-7-2-1-6-41(39)42)31-13-15-33(16-14-31)45-23-19-35-18-17-34-5-3-25-52-47(34)48(35)54-45/h1-29H
InChIKeyFYXRBQYCOGVBJM-UHFFFAOYSA-N
XLogP12.99
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.81
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][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

5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
CID 137472822
4-[4-[4-(10-fluorobenzo[b][1,10]phenanthrolin-5-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 137472733
5-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline-10-carbonitrile
CID 137472831
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
4-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline;5-[4-[6-(2-pyridin-4-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 160688064
5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236
5-[4-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780665
2-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]-1,10-phenanthroline
CID 167410506
4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165088310
9-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline
CID 137472762
4-[4-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780832
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline?
The IUPAC name of 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline (CID 137472728) is 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline is Fc1ccc2nc3c(cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc56)cc4)c4cccnc43)cc2c1.
What is the InChIKey of 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline?
The InChIKey is FYXRBQYCOGVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29FN4/c51-38-20-24-46-36(28-38)27-37-29-44(43-8-4-26-53-50(43)49(37)55-46)32-11-9-30(10-12-32)39-21-22-40(42-7-2-1-6-41(39)42)31-13-15-33(16-14-31)45-23-19-35-18-17-34-5-3-25-52-47(34)48(35)54-45/h1-29H.
What are the key properties of 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline?
9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline has a molecular weight of 704.81 g/mol, XLogP of 12.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-[4-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 137472728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).