5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine

C24H14Br2N2 — CID 88894608

IUPAC5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc(Br)cn3)c3ccccc23)nc1
InChIInChI=1S/C24H14Br2N2/c25-15-9-11-21(27-13-15)23-17-5-1-2-6-18(17)24(20-8-4-3-7-19(20)23)22-12-10-16(26)14-28-22/h1-14H
InChIKeyOJYAWVUBTIOZEI-UHFFFAOYSA-N
MW490.20 g/mol
LogP7.64
Rot. Bonds2

About 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine

5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine (PubChem CID 88894608) has the molecular formula C24H14Br2N2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
PubChem CID88894608
Molecular FormulaC24H14Br2N2
Molecular Weight490.20 g/mol
Exact Mass487.95
IUPAC Name5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc(Br)cn3)c3ccccc23)nc1
InChIInChI=1S/C24H14Br2N2/c25-15-9-11-21(27-13-15)23-17-5-1-2-6-18(17)24(20-8-4-3-7-19(20)23)22-12-10-16(26)14-28-22/h1-14H
InChIKeyOJYAWVUBTIOZEI-UHFFFAOYSA-N
XLogP7.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine?
The IUPAC name of 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine (CID 88894608) is 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine?
The canonical SMILES for 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine is Brc1ccc(-c2c3ccccc3c(-c3ccc(Br)cn3)c3ccccc23)nc1.
What is the InChIKey of 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine?
The InChIKey is OJYAWVUBTIOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2/c25-15-9-11-21(27-13-15)23-17-5-1-2-6-18(17)24(20-8-4-3-7-19(20)23)22-12-10-16(26)14-28-22/h1-14H.
What are the key properties of 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine?
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine has a molecular weight of 490.20 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 88894608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).