2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine

C24H15BrN2 — CID 58142285

IUPAC2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine
SMILESBrc1cccc2c1ccc1c(-c3cccc(-c4ccncc4)n3)cccc12
InChIInChI=1S/C24H15BrN2/c25-22-7-2-5-18-17-4-1-6-21(19(17)10-11-20(18)22)24-9-3-8-23(27-24)16-12-14-26-15-13-16/h1-15H
InChIKeyPAIPTHVJJRPMBO-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.88
Rot. Bonds2

About 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine

2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine (PubChem CID 58142285) has the molecular formula C24H15BrN2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine
PubChem CID58142285
Molecular FormulaC24H15BrN2
Molecular Weight411.30 g/mol
Exact Mass410.04
IUPAC Name2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine
SMILESBrc1cccc2c1ccc1c(-c3cccc(-c4ccncc4)n3)cccc12
InChIInChI=1S/C24H15BrN2/c25-22-7-2-5-18-17-4-1-6-21(19(17)10-11-20(18)22)24-9-3-8-23(27-24)16-12-14-26-15-13-16/h1-15H
InChIKeyPAIPTHVJJRPMBO-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine?
The IUPAC name of 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine (CID 58142285) is 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine.
What is the SMILES notation for 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine?
The canonical SMILES for 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine is Brc1cccc2c1ccc1c(-c3cccc(-c4ccncc4)n3)cccc12.
What is the InChIKey of 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine?
The InChIKey is PAIPTHVJJRPMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2/c25-22-7-2-5-18-17-4-1-6-21(19(17)10-11-20(18)22)24-9-3-8-23(27-24)16-12-14-26-15-13-16/h1-15H.
What are the key properties of 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine?
2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine has a molecular weight of 411.30 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromophenanthren-1-yl)-6-pyridin-4-ylpyridine is sourced from PubChem (CID 58142285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).