6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine

C48H30N4 — CID 146802959

IUPAC6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cccc5c5c4ccc4ccccc45)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C48H30N4/c1-3-14-36-32(11-1)13-9-16-38(36)39-17-10-18-40-46-37-15-4-2-12-33(37)25-26-41(46)47(52-48(39)40)34-23-21-31(22-24-34)35-29-44(42-19-5-7-27-49-42)51-45(30-35)43-20-6-8-28-50-43/h1-30H
InChIKeyRYGYRUULUJCAPR-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine

6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine (PubChem CID 146802959) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
PubChem CID146802959
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cccc5c5c4ccc4ccccc45)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C48H30N4/c1-3-14-36-32(11-1)13-9-16-38(36)39-17-10-18-40-46-37-15-4-2-12-33(37)25-26-41(46)47(52-48(39)40)34-23-21-31(22-24-34)35-29-44(42-19-5-7-27-49-42)51-45(30-35)43-20-6-8-28-50-43/h1-30H
InChIKeyRYGYRUULUJCAPR-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine with MolForge

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Related Compounds

4-phenyl-6-[4-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249271
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159906159
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
CID 170925486
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 149449540
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
1-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185389
6,10-diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6,10-diphenylphenanthridine
CID 159889513
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
6-[4-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666066
2-[3-(6,10-diphenylphenanthridin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 159184433

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine?
The IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine (CID 146802959) is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine.
What is the SMILES notation for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine?
The canonical SMILES for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine is c1ccc(-c2cc(-c3ccc(-c4nc5c(-c6cccc7ccccc67)cccc5c5c4ccc4ccccc45)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine?
The InChIKey is RYGYRUULUJCAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-36-32(11-1)13-9-16-38(36)39-17-10-18-40-46-37-15-4-2-12-33(37)25-26-41(46)47(52-48(39)40)34-23-21-31(22-24-34)35-29-44(42-19-5-7-27-49-42)51-45(30-35)43-20-6-8-28-50-43/h1-30H.
What are the key properties of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine?
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine is sourced from PubChem (CID 146802959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).