2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C103H75BrN4O4 — CID 158754068

IUPAC2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESO=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1.O=C(C[n+]1ccccc1)c1ccccc1.[Br-].c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C57H39N3.C33H24O3.C13H12NO.BrH/c1-7-19-40(20-8-1)46-34-52(43-25-13-4-14-26-43)58-55(37-46)49-31-50(56-38-47(41-21-9-2-10-22-41)35-53(59-56)44-27-15-5-16-28-44)33-51(32-49)57-39-48(42-23-11-3-12-24-42)36-54(60-57)45-29-17-6-18-30-45;34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-39H;1-24H;1-10H,11H2;1H/q;;+1;/p-1/b;19-16+,20-17+,21-18+;;
InChIKeySGLRJPGPUPHIIJ-HEYIFAOFSA-M
MW1512.66 g/mol
LogP21.11
Rot. Bonds21

About 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 158754068) has the molecular formula C103H75BrN4O4 and a molecular weight of 1512.66 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

Compound Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
PubChem CID158754068
Molecular FormulaC103H75BrN4O4
Molecular Weight1512.66 g/mol
Exact Mass1510.50
IUPAC Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESO=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1.O=C(C[n+]1ccccc1)c1ccccc1.[Br-].c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C57H39N3.C33H24O3.C13H12NO.BrH/c1-7-19-40(20-8-1)46-34-52(43-25-13-4-14-26-43)58-55(37-46)49-31-50(56-38-47(41-21-9-2-10-22-41)35-53(59-56)44-27-15-5-16-28-44)33-51(32-49)57-39-48(42-23-11-3-12-24-42)36-54(60-57)45-29-17-6-18-30-45;34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-39H;1-24H;1-10H,11H2;1H/q;;+1;/p-1/b;19-16+,20-17+,21-18+;;
InChIKeySGLRJPGPUPHIIJ-HEYIFAOFSA-M
XLogP21.11
TPSA110.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001512.66
LogP ≤ 521.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide with MolForge

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Related Compounds

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CID 10326241
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CID 16762317
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5,5',5''-(Benzene-1,3,5-triyl)tripicolinaldehyde
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5,5',5'',5'''-(Pyrene-1,3,6,8-tetrayl)tetrapicolinaldehyde
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 158754068) is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.
What is the SMILES notation for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The canonical SMILES for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is O=C(/C=C/c1ccccc1)c1cc(C(=O)/C=C/c2ccccc2)cc(C(=O)/C=C/c2ccccc2)c1.O=C(C[n+]1ccccc1)c1ccccc1.[Br-].c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The InChIKey is SGLRJPGPUPHIIJ-HEYIFAOFSA-M. The full InChI is InChI=1S/C57H39N3.C33H24O3.C13H12NO.BrH/c1-7-19-40(20-8-1)46-34-52(43-25-13-4-14-26-43)58-55(37-46)49-31-50(56-38-47(41-21-9-2-10-22-41)35-53(59-56)44-27-15-5-16-28-44)33-51(32-49)57-39-48(42-23-11-3-12-24-42)36-54(60-57)45-29-17-6-18-30-45;34-31(19-16-25-10-4-1-5-11-25)28-22-29(32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)33(36)21-18-27-14-8-3-9-15-27;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-39H;1-24H;1-10H,11H2;1H/q;;+1;/p-1/b;19-16+,20-17+,21-18+;;.
What are the key properties of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 1512.66 g/mol, XLogP of 21.11, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine;(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 158754068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).