8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine

C54H34N4 — CID 122665988

IUPAC8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C54H34N4/c1-2-14-36-31-41(26-25-35(36)13-1)54-47-34-46(43-19-3-4-20-44(43)53(47)45-21-5-6-22-48(45)58-54)40-18-12-16-38(30-40)37-15-11-17-39(29-37)42-32-51(49-23-7-9-27-55-49)57-52(33-42)50-24-8-10-28-56-50/h1-34H
InChIKeySCYLAXOLAOHOEC-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.88
Rot. Bonds6

About 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine

8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine (PubChem CID 122665988) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
PubChem CID122665988
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)c3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C54H34N4/c1-2-14-36-31-41(26-25-35(36)13-1)54-47-34-46(43-19-3-4-20-44(43)53(47)45-21-5-6-22-48(45)58-54)40-18-12-16-38(30-40)37-15-11-17-39(29-37)42-32-51(49-23-7-9-27-55-49)57-52(33-42)50-24-8-10-28-56-50/h1-34H
InChIKeySCYLAXOLAOHOEC-UHFFFAOYSA-N
XLogP13.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine with MolForge

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Launch Full Analysis

Related Compounds

6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
CID 122666089
8-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665606
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665941
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
6-[3-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665289

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The IUPAC name of 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine (CID 122665988) is 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine.
What is the SMILES notation for 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The canonical SMILES for 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)c3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The InChIKey is SCYLAXOLAOHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-2-14-36-31-41(26-25-35(36)13-1)54-47-34-46(43-19-3-4-20-44(43)53(47)45-21-5-6-22-48(45)58-54)40-18-12-16-38(30-40)37-15-11-17-39(29-37)42-32-51(49-23-7-9-27-55-49)57-52(33-42)50-24-8-10-28-56-50/h1-34H.
What are the key properties of 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine has a molecular weight of 738.89 g/mol, XLogP of 13.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine is sourced from PubChem (CID 122665988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).