2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline

C44H28N2 — CID 70958773

IUPAC2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)nc1
InChIInChI=1S/C44H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-22-24-32(25-23-31)42-21-7-8-26-45-42)28-43(46-44(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37/h1-28H
InChIKeyKVOKFFQCEGKVPV-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline

2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline (PubChem CID 70958773) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
PubChem CID70958773
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)nc1
InChIInChI=1S/C44H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-22-24-32(25-23-31)42-21-7-8-26-45-42)28-43(46-44(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37/h1-28H
InChIKeyKVOKFFQCEGKVPV-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(phenanthren-9-yl)-4-pyridin-4-ylbenzo[h]quinoline;2,6-di(phenanthren-9-yl)-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 157088879
2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline
CID 159427722
2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958772
2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
4-[4-(4,6-dinaphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]benzonitrile
CID 70958881
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-(2,4-dinaphthalen-1-ylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959605
2,6-dinaphthalen-1-yl-4-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958787
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239
2-[4-(1,4,5,8-tetradeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]pyridine
CID 176646872
2-(3,6,8-trinaphthalen-1-ylpyren-1-yl)pyridine
CID 89347361
2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 159177643

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline?
The IUPAC name of 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline (CID 70958773) is 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline.
What is the SMILES notation for 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline?
The canonical SMILES for 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)nc1.
What is the InChIKey of 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline?
The InChIKey is KVOKFFQCEGKVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-22-24-32(25-23-31)42-21-7-8-26-45-42)28-43(46-44(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37/h1-28H.
What are the key properties of 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline?
2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70958773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).