5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline

C47H29N3 — CID 138644043

IUPAC5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ncccc56)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C47H29N3/c1-2-10-30(11-3-1)41-29-44(50-43-25-22-31-12-4-5-14-36(31)45(41)43)33-20-18-32(19-21-33)35-23-24-39(38-16-7-6-15-37(35)38)42-28-34-13-8-26-48-46(34)47-40(42)17-9-27-49-47/h1-29H
InChIKeyHCDWIGOFQBLIIF-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline

5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 138644043) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
PubChem CID138644043
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ncccc56)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C47H29N3/c1-2-10-30(11-3-1)41-29-44(50-43-25-22-31-12-4-5-14-36(31)45(41)43)33-20-18-32(19-21-33)35-23-24-39(38-16-7-6-15-37(35)38)42-28-34-13-8-26-48-46(34)47-40(42)17-9-27-49-47/h1-29H
InChIKeyHCDWIGOFQBLIIF-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-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-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138643643
1-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;2-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;5-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158908007
1-[4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185478
1-phenyl-3-pyridin-4-ylbenzo[f]quinoline chloride
CID 53347208
3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643749
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 161107449
5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023236
3-[4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185318

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The IUPAC name of 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline (CID 138644043) is 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The canonical SMILES for 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6cccnc6c6ncccc56)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The InChIKey is HCDWIGOFQBLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-10-30(11-3-1)41-29-44(50-43-25-22-31-12-4-5-14-36(31)45(41)43)33-20-18-32(19-21-33)35-23-24-39(38-16-7-6-15-37(35)38)42-28-34-13-8-26-48-46(34)47-40(42)17-9-27-49-47/h1-29H.
What are the key properties of 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 138644043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).