benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C93H67Br6N3O6 — CID 157220440

IUPACbenzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESBrc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Br)c5)c4)c3)cc(-c3ccccc3)n2)c1.CC(=O)c1cccc(Br)c1.O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)c1cccc(Br)c1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(C=O)c1.[Br-]
InChIInChI=1S/C40H26Br2N2.C24H16Br2O2.C13H12NO.C8H7BrO.C8H6O2.BrH/c41-35-18-8-16-31(21-35)39-25-33(23-37(43-39)27-10-3-1-4-11-27)29-14-7-15-30(20-29)34-24-38(28-12-5-2-6-13-28)44-40(26-34)32-17-9-19-36(42)22-32;25-21-8-2-6-19(15-21)23(27)12-10-17-4-1-5-18(14-17)11-13-24(28)20-7-3-9-22(26)16-20;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-6(10)7-3-2-4-8(9)5-7;9-5-7-2-1-3-8(4-7)6-10;/h1-26H;1-16H;1-10H,11H2;2-5H,1H3;1-6H;1H/q;;+1;;;/p-1/b;12-10+,13-11+;;;;
InChIKeySBGOSPNCRQJHQG-OGTXQGEXSA-M
MW1802.00 g/mol
LogP21.83
Rot. Bonds18

About benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 157220440) has the molecular formula C93H67Br6N3O6 and a molecular weight of 1802.00 g/mol. Its IUPAC name is benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

Compound Namebenzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
PubChem CID157220440
Molecular FormulaC93H67Br6N3O6
Molecular Weight1802.00 g/mol
Exact Mass1795.01
IUPAC Namebenzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
SMILESBrc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Br)c5)c4)c3)cc(-c3ccccc3)n2)c1.CC(=O)c1cccc(Br)c1.O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)c1cccc(Br)c1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(C=O)c1.[Br-]
InChIInChI=1S/C40H26Br2N2.C24H16Br2O2.C13H12NO.C8H7BrO.C8H6O2.BrH/c41-35-18-8-16-31(21-35)39-25-33(23-37(43-39)27-10-3-1-4-11-27)29-14-7-15-30(20-29)34-24-38(28-12-5-2-6-13-28)44-40(26-34)32-17-9-19-36(42)22-32;25-21-8-2-6-19(15-21)23(27)12-10-17-4-1-5-18(14-17)11-13-24(28)20-7-3-9-22(26)16-20;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-6(10)7-3-2-4-8(9)5-7;9-5-7-2-1-3-8(4-7)6-10;/h1-26H;1-16H;1-10H,11H2;2-5H,1H3;1-6H;1H/q;;+1;;;/p-1/b;12-10+,13-11+;;;;
InChIKeySBGOSPNCRQJHQG-OGTXQGEXSA-M
XLogP21.83
TPSA132.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001802.00
LogP ≤ 521.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide with MolForge

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Related Compounds

5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine-2-carbaldehyde
CID 59561612
[3-Bromo-5-(pyridine-2-carbonyl)phenyl]-pyridin-2-ylmethanone
CID 69980960
[3,5-bis(2-pyridin-2-ylphenyl)phenyl]-[3-[2-[N-[(1Z)-buta-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]-5-(2-pyridin-2-ylphenyl)phenyl]methanone
CID 118501047
Bis[3-(3-bromophenyl)-2-pyridinyl]methanone
CID 140304264
Bis[2-(3-bromophenyl)-4-pyridinyl]methanone
CID 140304457
Bis(1-(3-bromophenyl)-2-(1-methylpyridin-1-ium-2-yl)ethanone);fluoro-dioxido-oxo-lambda5-phosphane
CID 141008661
(2,5-Dimethylphenyl)-pyridin-2-ylmethanone;ethene;formaldehyde;2-methyl-5-[4-[4-methyl-2-(pyridine-2-carbonyl)phenyl]-3-(pyridine-2-carbonyl)phenyl]benzaldehyde;2-methylpyridine
CID 144898554
1-bromo-2-methylnaphthalene;1-bromonaphthalene-2-carbaldehyde;4-[(E)-2-(1-bromonaphthalen-2-yl)ethenyl]pyridine;4-methylpyridine
CID 157123356
1-(3-bromophenyl)ethanone;2-(3-bromophenyl)-6-phenyl-4-(4-phenylphenyl)pyridine;(E)-1-(3-bromophenyl)-3-(4-phenylphenyl)prop-2-en-1-one;(2,5-difluorophenyl)boronic acid;4-phenylbenzaldehyde;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
CID 157611579
Sodium;benzaldehyde;2-bromopyridine;hydride;methylboronic acid;bis(2-methylpyridine);styrene
CID 157674572
2-(3-Bromobenzene-6-id-1-yl)pyridine;3-bromobenzonitrile;1-bromo-3,5-diphenylbenzene;(3-bromophenyl)-(3,5-diphenylphenyl)methanone;(3,5-diphenylphenyl)-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]methanone;(3,5-diphenylphenyl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone;bis(iridium)
CID 157679696
azane;(1E,5E)-1,6-bis(3-bromophenyl)hexa-1,5-diene-3,4-dione;2-[4,6-bis(3-bromophenyl)-2-pyridinyl]-4,6-bis(3-bromophenyl)pyridine;2-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-4,6-bis(3-phenylphenyl)pyridine;1-(3-bromophenyl)-2-pyridin-1-ium-1-ylethanone;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane;hydrobromide
CID 157912599

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The IUPAC name of benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 157220440) is benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.
What is the SMILES notation for benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The canonical SMILES for benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is Brc1cccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Br)c5)c4)c3)cc(-c3ccccc3)n2)c1.CC(=O)c1cccc(Br)c1.O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(Br)c2)c1)c1cccc(Br)c1.O=C(C[n+]1ccccc1)c1ccccc1.O=Cc1cccc(C=O)c1.[Br-].
What is the InChIKey of benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
The InChIKey is SBGOSPNCRQJHQG-OGTXQGEXSA-M. The full InChI is InChI=1S/C40H26Br2N2.C24H16Br2O2.C13H12NO.C8H7BrO.C8H6O2.BrH/c41-35-18-8-16-31(21-35)39-25-33(23-37(43-39)27-10-3-1-4-11-27)29-14-7-15-30(20-29)34-24-38(28-12-5-2-6-13-28)44-40(26-34)32-17-9-19-36(42)22-32;25-21-8-2-6-19(15-21)23(27)12-10-17-4-1-5-18(14-17)11-13-24(28)20-7-3-9-22(26)16-20;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;1-6(10)7-3-2-4-8(9)5-7;9-5-7-2-1-3-8(4-7)6-10;/h1-26H;1-16H;1-10H,11H2;2-5H,1H3;1-6H;1H/q;;+1;;;/p-1/b;12-10+,13-11+;;;;.
What are the key properties of benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?
benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 1802.00 g/mol, XLogP of 21.83, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarbaldehyde;(E)-1-(3-bromophenyl)-3-[3-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(3-bromophenyl)-4-[3-[2-(3-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-(3-bromophenyl)ethanone;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 157220440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).