5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane

C84H64Br2N4 — CID 145132328

IUPAC5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
SMILESBrc1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1.CC.Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(Br)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C42H31BrN2.C40H27BrN2.C2H6/c1-28-21-41(30-13-5-3-6-14-30)44-26-39(28)37-19-11-9-17-35(37)32-23-33(25-34(43)24-32)36-18-10-12-20-38(36)40-27-45-42(22-29(40)2)31-15-7-4-8-16-31;41-34-26-32(37-11-3-1-9-35(37)28-15-19-30(20-16-28)39-13-5-7-23-42-39)25-33(27-34)38-12-4-2-10-36(38)29-17-21-31(22-18-29)40-14-6-8-24-43-40;1-2/h3-27H,1-2H3;1-27H;1-2H3
InChIKeySWUSFASYUQQHLP-UHFFFAOYSA-N
MW1289.27 g/mol
LogP24.13
Rot. Bonds12

About 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane

5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane (PubChem CID 145132328) has the molecular formula C84H64Br2N4 and a molecular weight of 1289.27 g/mol. Its IUPAC name is 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane.

Molecular Properties

Compound Name5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
PubChem CID145132328
Molecular FormulaC84H64Br2N4
Molecular Weight1289.27 g/mol
Exact Mass1286.35
IUPAC Name5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
SMILESBrc1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1.CC.Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(Br)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C42H31BrN2.C40H27BrN2.C2H6/c1-28-21-41(30-13-5-3-6-14-30)44-26-39(28)37-19-11-9-17-35(37)32-23-33(25-34(43)24-32)36-18-10-12-20-38(36)40-27-45-42(22-29(40)2)31-15-7-4-8-16-31;41-34-26-32(37-11-3-1-9-35(37)28-15-19-30(20-16-28)39-13-5-7-23-42-39)25-33(27-34)38-12-4-2-10-36(38)29-17-21-31(22-18-29)40-14-6-8-24-43-40;1-2/h3-27H,1-2H3;1-27H;1-2H3
InChIKeySWUSFASYUQQHLP-UHFFFAOYSA-N
XLogP24.13
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.27
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane with MolForge

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Related Compounds

3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44158944
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
2-[5-[2,4,5-Tris(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tetrabromide
CID 44159419
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
1,1,2,2-Tetrakis(4-(pyridin-4-yl)phenyl)ethene
CID 90642886
2-[5-[2,4,5-Tris(5-isoquinolin-2-ium-2-ylpent-1-ynyl)phenyl]pent-4-ynyl]isoquinolin-2-ium tetrabromide
CID 44158832
3-Methyl-1-[5-[2,4,5-tris[5-(3-methylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44159066
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44159187
3-Methyl-1-[5-[2,4,5-tris[5-(3-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159189
2-[5-[2,4,5-Tris[5-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)pentyl]phenyl]pentyl]-5,6,7,8-tetrahydroisoquinolin-2-ium tetrabromide
CID 44159306
3,4-Dimethyl-1-[5-[2,4,5-tris[5-(3,4-dimethylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159421
4-Methyl-1-[5-[2,4,5-tris[5-(4-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159540

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane?
The IUPAC name of 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane (CID 145132328) is 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane.
What is the SMILES notation for 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane?
The canonical SMILES for 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane is Brc1cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2)c1.CC.Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(Br)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1.
What is the InChIKey of 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane?
The InChIKey is SWUSFASYUQQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31BrN2.C40H27BrN2.C2H6/c1-28-21-41(30-13-5-3-6-14-30)44-26-39(28)37-19-11-9-17-35(37)32-23-33(25-34(43)24-32)36-18-10-12-20-38(36)40-27-45-42(22-29(40)2)31-15-7-4-8-16-31;41-34-26-32(37-11-3-1-9-35(37)28-15-19-30(20-16-28)39-13-5-7-23-42-39)25-33(27-34)38-12-4-2-10-36(38)29-17-21-31(22-18-29)40-14-6-8-24-43-40;1-2/h3-27H,1-2H3;1-27H;1-2H3.
What are the key properties of 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane?
5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane has a molecular weight of 1289.27 g/mol, XLogP of 24.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane is sourced from PubChem (CID 145132328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).