3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine

C39H25N — CID 58592230

IUPAC3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
SMILESc1cncc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C39H25N/c1-3-10-28-22-31(17-15-26(28)8-1)38-34-13-5-6-14-35(34)39(32-18-16-27-9-2-4-11-29(27)23-32)37-24-30(19-20-36(37)38)33-12-7-21-40-25-33/h1-25H
InChIKeyHHQFMNMGBOYYRU-UHFFFAOYSA-N
MW507.64 g/mol
LogP10.70
Rot. Bonds3

About 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine

3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine (PubChem CID 58592230) has the molecular formula C39H25N and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine.

Molecular Properties

Compound Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
PubChem CID58592230
Molecular FormulaC39H25N
Molecular Weight507.64 g/mol
Exact Mass507.20
IUPAC Name3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
SMILESc1cncc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C39H25N/c1-3-10-28-22-31(17-15-26(28)8-1)38-34-13-5-6-14-35(34)39(32-18-16-27-9-2-4-11-29(27)23-32)37-24-30(19-20-36(37)38)33-12-7-21-40-25-33/h1-25H
InChIKeyHHQFMNMGBOYYRU-UHFFFAOYSA-N
XLogP10.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine?
The IUPAC name of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine (CID 58592230) is 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine.
What is the SMILES notation for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine?
The canonical SMILES for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine is c1cncc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1.
What is the InChIKey of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine?
The InChIKey is HHQFMNMGBOYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N/c1-3-10-28-22-31(17-15-26(28)8-1)38-34-13-5-6-14-35(34)39(32-18-16-27-9-2-4-11-29(27)23-32)37-24-30(19-20-36(37)38)33-12-7-21-40-25-33/h1-25H.
What are the key properties of 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine?
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine has a molecular weight of 507.64 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine is sourced from PubChem (CID 58592230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).