2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine

C26H20Br2N2 — CID 90076880

IUPAC2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine
SMILESCC1(C)c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C26H20Br2N2/c1-25(2)17-9-3-5-11-19(17)26(20-12-6-4-10-18(20)25,21-13-7-15-23(27)29-21)22-14-8-16-24(28)30-22/h3-16H,1-2H3
InChIKeyRHDQTLYTGJNEIL-UHFFFAOYSA-N
MW520.27 g/mol
LogP7.02
Rot. Bonds2

About 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine

2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine (PubChem CID 90076880) has the molecular formula C26H20Br2N2 and a molecular weight of 520.27 g/mol. Its IUPAC name is 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine
PubChem CID90076880
Molecular FormulaC26H20Br2N2
Molecular Weight520.27 g/mol
Exact Mass518.00
IUPAC Name2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine
SMILESCC1(C)c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C26H20Br2N2/c1-25(2)17-9-3-5-11-19(17)26(20-12-6-4-10-18(20)25,21-13-7-15-23(27)29-21)22-14-8-16-24(28)30-22/h3-16H,1-2H3
InChIKeyRHDQTLYTGJNEIL-UHFFFAOYSA-N
XLogP7.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.27
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine?
The IUPAC name of 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine (CID 90076880) is 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine?
The canonical SMILES for 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine is CC1(C)c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21.
What is the InChIKey of 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine?
The InChIKey is RHDQTLYTGJNEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2N2/c1-25(2)17-9-3-5-11-19(17)26(20-12-6-4-10-18(20)25,21-13-7-15-23(27)29-21)22-14-8-16-24(28)30-22/h3-16H,1-2H3.
What are the key properties of 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine?
2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine has a molecular weight of 520.27 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[9-(6-bromo-2-pyridinyl)-10,10-dimethylanthracen-9-yl]pyridine is sourced from PubChem (CID 90076880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).