2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline

C59H37N3 — CID 138643643

IUPAC2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccc(-c7ccccc7)nc6c6nc(-c7ccccc7)ccc56)c5ccccc45)c3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C59H37N3/c1-4-16-39(17-5-1)53-32-28-44-36-52(50-31-34-54(40-18-6-2-7-19-40)62-59(50)58(44)61-53)49-30-29-45(47-25-12-13-26-48(47)49)42-22-14-23-43(35-42)51-37-56(41-20-8-3-9-21-41)60-55-33-27-38-15-10-11-24-46(38)57(51)55/h1-37H
InChIKeyFNIBLOSEVQELDV-UHFFFAOYSA-N
MW787.97 g/mol
LogP15.64
Rot. Bonds6

About 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline

2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 138643643) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
PubChem CID138643643
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccc(-c7ccccc7)nc6c6nc(-c7ccccc7)ccc56)c5ccccc45)c3)c3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C59H37N3/c1-4-16-39(17-5-1)53-32-28-44-36-52(50-31-34-54(40-18-6-2-7-19-40)62-59(50)58(44)61-53)49-30-29-45(47-25-12-13-26-48(47)49)42-22-14-23-43(35-42)51-37-56(41-20-8-3-9-21-41)60-55-33-27-38-15-10-11-24-46(38)57(51)55/h1-37H
InChIKeyFNIBLOSEVQELDV-UHFFFAOYSA-N
XLogP15.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-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

5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
1-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643962
3-phenyl-1-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzo[f]quinoline
CID 146185541
1-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146188874
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
1-[3-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643845
1-[3-(4-isoquinolin-5-ylnaphthalen-1-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 138643705
3-phenyl-1-[3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]benzo[f]quinoline
CID 138643958
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
3-phenyl-1-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 146185486
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
2-(3-benzo[h]quinolin-2-ylphenyl)-5-[5-[4-[9-(3-benzo[h]quinolin-2-ylphenyl)-1,10-phenanthrolin-2-yl]phenyl]naphthalen-1-yl]-9-(3-naphthalen-2-ylphenyl)-1,10-phenanthroline
CID 134176196

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The IUPAC name of 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline (CID 138643643) is 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cc6ccc(-c7ccccc7)nc6c6nc(-c7ccccc7)ccc56)c5ccccc45)c3)c3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
The InChIKey is FNIBLOSEVQELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-4-16-39(17-5-1)53-32-28-44-36-52(50-31-34-54(40-18-6-2-7-19-40)62-59(50)58(44)61-53)49-30-29-45(47-25-12-13-26-48(47)49)42-22-14-23-43(35-42)51-37-56(41-20-8-3-9-21-41)60-55-33-27-38-15-10-11-24-46(38)57(51)55/h1-37H.
What are the key properties of 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline?
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 787.97 g/mol, XLogP of 15.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 138643643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).