2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C144H105BrN6O6 — CID 158845838

IUPAC2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(/C=C/C(=O)c4ccccc4)c3)n2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C=O)c3)n2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C57H39N3.C41H29NO2.C25H17NO2.C13H12NO.C8H8O.BrH/c1-6-18-40(19-7-1)49-34-56(47-30-16-28-45(32-47)50-36-52(41-20-8-2-9-21-41)58-53(37-50)42-22-10-3-11-23-42)60-57(35-49)48-31-17-29-46(33-48)51-38-54(43-24-12-4-13-25-43)59-55(39-51)44-26-14-5-15-27-44;43-40(33-16-6-2-7-17-33)24-22-30-12-10-20-35(26-30)38-28-37(32-14-4-1-5-15-32)29-39(42-38)36-21-11-13-31(27-36)23-25-41(44)34-18-8-3-9-19-34;27-16-18-6-4-10-21(12-18)24-14-23(20-8-2-1-3-9-20)15-25(26-24)22-11-5-7-19(13-22)17-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-39H;1-29H;1-17H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;24-22+,25-23+;;;;
InChIKeyDUZWBCVGQLXKQZ-LOTMRHLSSA-M
MW2095.36 g/mol
LogP31.21
Rot. Bonds27

About 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 158845838) has the molecular formula C144H105BrN6O6 and a molecular weight of 2095.36 g/mol. Its IUPAC name is 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

Compound Name2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
PubChem CID158845838
Molecular FormulaC144H105BrN6O6
Molecular Weight2095.36 g/mol
Exact Mass2092.73
IUPAC Name2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESCC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(/C=C/C(=O)c4ccccc4)c3)n2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C=O)c3)n2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C57H39N3.C41H29NO2.C25H17NO2.C13H12NO.C8H8O.BrH/c1-6-18-40(19-7-1)49-34-56(47-30-16-28-45(32-47)50-36-52(41-20-8-2-9-21-41)58-53(37-50)42-22-10-3-11-23-42)60-57(35-49)48-31-17-29-46(33-48)51-38-54(43-24-12-4-13-25-43)59-55(39-51)44-26-14-5-15-27-44;43-40(33-16-6-2-7-17-33)24-22-30-12-10-20-35(26-30)38-28-37(32-14-4-1-5-15-32)29-39(42-38)36-21-11-13-31(27-36)23-25-41(44)34-18-8-3-9-19-34;27-16-18-6-4-10-21(12-18)24-14-23(20-8-2-1-3-9-20)15-25(26-24)22-11-5-7-19(13-22)17-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-39H;1-29H;1-17H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;24-22+,25-23+;;;;
InChIKeyDUZWBCVGQLXKQZ-LOTMRHLSSA-M
XLogP31.21
TPSA170.75 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.36
LogP ≤ 531.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide with MolForge

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Launch Full Analysis

Related Compounds

11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)-3-pyridinyl]pyrido[2,3-b]acridine-5,12-dione
CID 393106
5,5',5''-(Benzene-1,3,5-triyl)tripicolinaldehyde
CID 102218697
5,5',5'',5'''-(Pyrene-1,3,6,8-tetrayl)tetrapicolinaldehyde
CID 163203718
3-[6-[2-[4-[(3S,5R)-3,5-dimethylcyclohexyl]-3-pyridinyl]acetyl]-3-fluoro-2-pyridinyl]-2,4-difluorobenzaldehyde
CID 157583407
1-(2-Fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tris(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 157779804
1-[4-[[4-[1-[(4-Acetylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]ethanone;1-[4-[[4-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]ethanone
CID 158966076
Bis(1-[4-[[4-[2-[(4-acetylphenyl)methyl]isoquinolin-2-ium-7-yl]pyridin-1-ium-1-yl]methyl]phenyl]ethanone);2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]isoquinolin-2-ium;7-[1-[(2,4-dimethylphenyl)methyl]pyridin-1-ium-4-yl]-2-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]isoquinolin-2-ium;7-(1-ethylpyridin-1-ium-4-yl)-2-methylisoquinolin-2-ium;2-heptyl-7-(1-heptylpyridin-1-ium-4-yl)isoquinolin-2-ium
CID 161507998
5,5'-([2,2'-Bipyridine]-5,5'-diylbis(ethane-2,1-diyl))dipicolinaldehyde
CID 53389305
[3,3':6',2'':5'',3'''-Quaterpyridine]-6,6'''-dicarbaldehyde
CID 90656963
1-[6-(6-Acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
CID 91171818
(3S)-3-diphenylphosphanyl-3-[3-[(1S)-1-diphenylphosphanyl-3-oxo-3-pyridin-2-ylpropyl]phenyl]-1-pyridin-2-ylpropan-1-one
CID 101542043
4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde
CID 102490183

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The IUPAC name of 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 158845838) is 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.
What is the SMILES notation for 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The canonical SMILES for 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is CC(=O)c1ccccc1.O=C(/C=C/c1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(/C=C/C(=O)c4ccccc4)c3)n2)c1)c1ccccc1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(C=O)c3)n2)c1.[Br-].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The InChIKey is DUZWBCVGQLXKQZ-LOTMRHLSSA-M. The full InChI is InChI=1S/C57H39N3.C41H29NO2.C25H17NO2.C13H12NO.C8H8O.BrH/c1-6-18-40(19-7-1)49-34-56(47-30-16-28-45(32-47)50-36-52(41-20-8-2-9-21-41)58-53(37-50)42-22-10-3-11-23-42)60-57(35-49)48-31-17-29-46(33-48)51-38-54(43-24-12-4-13-25-43)59-55(39-51)44-26-14-5-15-27-44;43-40(33-16-6-2-7-17-33)24-22-30-12-10-20-35(26-30)38-28-37(32-14-4-1-5-15-32)29-39(42-38)36-21-11-13-31(27-36)23-25-41(44)34-18-8-3-9-19-34;27-16-18-6-4-10-21(12-18)24-14-23(20-8-2-1-3-9-20)15-25(26-24)22-11-5-7-19(13-22)17-28;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-7(9)8-5-3-2-4-6-8;/h1-39H;1-29H;1-17H;1-10H,11H2;2-6H,1H3;1H/q;;;+1;;/p-1/b;24-22+,25-23+;;;;.
What are the key properties of 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 2095.36 g/mol, XLogP of 31.21, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenylpyridine;3-[6-(3-formylphenyl)-4-phenyl-2-pyridinyl]benzaldehyde;(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one;1-phenylethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 158845838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).