3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine

C27H17Br2N3 — CID 144604631

IUPAC3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine
SMILESBrc1cccc(-c2ccc(-c3cncc(-c4ccc(-c5cccc(Br)c5)nc4)c3)cn2)c1
InChIInChI=1S/C27H17Br2N3/c28-24-5-1-3-18(12-24)26-9-7-20(16-31-26)22-11-23(15-30-14-22)21-8-10-27(32-17-21)19-4-2-6-25(29)13-19/h1-17H
InChIKeyLUPXLUOIJRDXMG-UHFFFAOYSA-N
MW543.26 g/mol
LogP8.06
Rot. Bonds4

About 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine

3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine (PubChem CID 144604631) has the molecular formula C27H17Br2N3 and a molecular weight of 543.26 g/mol. Its IUPAC name is 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine
PubChem CID144604631
Molecular FormulaC27H17Br2N3
Molecular Weight543.26 g/mol
Exact Mass540.98
IUPAC Name3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine
SMILESBrc1cccc(-c2ccc(-c3cncc(-c4ccc(-c5cccc(Br)c5)nc4)c3)cn2)c1
InChIInChI=1S/C27H17Br2N3/c28-24-5-1-3-18(12-24)26-9-7-20(16-31-26)22-11-23(15-30-14-22)21-8-10-27(32-17-21)19-4-2-6-25(29)13-19/h1-17H
InChIKeyLUPXLUOIJRDXMG-UHFFFAOYSA-N
XLogP8.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.26
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6834
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CID 80259
2-(4-Bromophenyl)-5-butylpyridine
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4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
4'-Bromo-2,2':6',2''-terpyridine
CID 10614995
2,6-Bis(2-pyridyl)-4-phenylpyridine
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1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
(-)-Brompheniramine
CID 6328079
16,16-Bis(3-bromophenyl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 44324358

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine?
The IUPAC name of 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine (CID 144604631) is 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine?
The canonical SMILES for 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine is Brc1cccc(-c2ccc(-c3cncc(-c4ccc(-c5cccc(Br)c5)nc4)c3)cn2)c1.
What is the InChIKey of 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine?
The InChIKey is LUPXLUOIJRDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Br2N3/c28-24-5-1-3-18(12-24)26-9-7-20(16-31-26)22-11-23(15-30-14-22)21-8-10-27(32-17-21)19-4-2-6-25(29)13-19/h1-17H.
What are the key properties of 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine?
3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine has a molecular weight of 543.26 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[6-(3-bromophenyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 144604631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).