4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine

C33H37Br2N3O2 — CID 170271349

IUPAC4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESBrCCCCCCOc1cc(OCCCCCCBr)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C33H37Br2N3O2/c34-15-7-1-3-11-19-39-28-21-26(22-29(25-28)40-20-12-4-2-8-16-35)27-23-32(30-13-5-9-17-36-30)38-33(24-27)31-14-6-10-18-37-31/h5-6,9-10,13-14,17-18,21-25H,1-4,7-8,11-12,15-16,19-20H2
InChIKeyXOVMQESZAYWVHY-UHFFFAOYSA-N
MW667.49 g/mol
LogP9.54
Rot. Bonds17

About 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine

4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 170271349) has the molecular formula C33H37Br2N3O2 and a molecular weight of 667.49 g/mol. Its IUPAC name is 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID170271349
Molecular FormulaC33H37Br2N3O2
Molecular Weight667.49 g/mol
Exact Mass665.13
IUPAC Name4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESBrCCCCCCOc1cc(OCCCCCCBr)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C33H37Br2N3O2/c34-15-7-1-3-11-19-39-28-21-26(22-29(25-28)40-20-12-4-2-8-16-35)27-23-32(30-13-5-9-17-36-30)38-33(24-27)31-14-6-10-18-37-31/h5-6,9-10,13-14,17-18,21-25H,1-4,7-8,11-12,15-16,19-20H2
InChIKeyXOVMQESZAYWVHY-UHFFFAOYSA-N
XLogP9.54
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.49
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
1,3-bis(10-bromodecoxy)benzene
CID 11800753
4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 100993285
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine (CID 170271349) is 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine is BrCCCCCCOc1cc(OCCCCCCBr)cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is XOVMQESZAYWVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Br2N3O2/c34-15-7-1-3-11-19-39-28-21-26(22-29(25-28)40-20-12-4-2-8-16-35)27-23-32(30-13-5-9-17-36-30)38-33(24-27)31-14-6-10-18-37-31/h5-6,9-10,13-14,17-18,21-25H,1-4,7-8,11-12,15-16,19-20H2.
What are the key properties of 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine?
4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 667.49 g/mol, XLogP of 9.54, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(6-bromohexoxy)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 170271349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).