4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine

C44H28N2 — CID 118583054

IUPAC4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C44H28N2/c1-2-8-38-36(34-26-32(29-17-21-45-22-18-29)25-33(27-34)30-19-23-46-24-20-30)16-15-35(37(38)7-1)31-13-14-43-41-11-4-3-9-39(41)40-10-5-6-12-42(40)44(43)28-31/h1-28H
InChIKeyTYWXGMYLDANFSQ-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine

4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine (PubChem CID 118583054) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine
PubChem CID118583054
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C44H28N2/c1-2-8-38-36(34-26-32(29-17-21-45-22-18-29)25-33(27-34)30-19-23-46-24-20-30)16-15-35(37(38)7-1)31-13-14-43-41-11-4-3-9-39(41)40-10-5-6-12-42(40)44(43)28-31/h1-28H
InChIKeyTYWXGMYLDANFSQ-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

4-pyridin-4-yl-2-[7-(4-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]pyridine
CID 166504132
2-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;3-[3-pyridin-3-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 161303910
4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 118014141
2,6-dipyridin-2-yl-4-[4-(3-pyridin-2-yl-5-pyridin-4-ylphenyl)naphthalen-1-yl]pyridine
CID 126730917
2,4-diphenyl-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;3-[3-pyridin-3-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine;4-[3-pyridin-4-yl-5-[2-(3-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
CID 160706357
2,4-dipyridin-4-yl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 118014097
2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
CID 175201640
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
4,6-diphenyl-2-(2-triphenylen-2-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[3-pyridin-3-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine
CID 159685802
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
CID 118014045
4-[2-[3-(7-ethenyltriphenylen-2-yl)phenyl]phenyl]-2,6-dipyridin-4-ylpyridine
CID 139518056
2,4-diphenyl-6-[2-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-pyridin-4-yl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 167580187

Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine?
The IUPAC name of 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine (CID 118583054) is 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine.
What is the SMILES notation for 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine?
The canonical SMILES for 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine is c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c2c1.
What is the InChIKey of 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine?
The InChIKey is TYWXGMYLDANFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-8-38-36(34-26-32(29-17-21-45-22-18-29)25-33(27-34)30-19-23-46-24-20-30)16-15-35(37(38)7-1)31-13-14-43-41-11-4-3-9-39(41)40-10-5-6-12-42(40)44(43)28-31/h1-28H.
What are the key properties of 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine?
4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine 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 4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylnaphthalen-1-yl)phenyl]pyridine is sourced from PubChem (CID 118583054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).