2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde

C50H36Br3NO2 — CID 161259091

IUPAC2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.CC(=O)c1ccc(Br)cc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7/h1-19H;1-10H;2-5H,1H3
InChIKeyVCHWNVZNFQMFLU-UHFFFAOYSA-N
MW922.56 g/mol
LogP15.09
Rot. Bonds7

About 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde

2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde (PubChem CID 161259091) has the molecular formula C50H36Br3NO2 and a molecular weight of 922.56 g/mol. Its IUPAC name is 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde.

Molecular Properties

Compound Name2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde
PubChem CID161259091
Molecular FormulaC50H36Br3NO2
Molecular Weight922.56 g/mol
Exact Mass919.03
IUPAC Name2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.CC(=O)c1ccc(Br)cc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7/h1-19H;1-10H;2-5H,1H3
InChIKeyVCHWNVZNFQMFLU-UHFFFAOYSA-N
XLogP15.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.56
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromo-phenyl)-1-(2-fluoro-6-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one
CID 67015513
2,4-Bis(4-bromophenyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 71732800
2-(4-Bromophenyl)-6-(4-fluorophenyl)pyridine-4-carbaldehyde
CID 131955073
[4-[(E)-2-(4-bromophenyl)ethenyl]-2-[(E)-2-phenylethenyl]quinolin-3-yl]-phenylmethanone
CID 166593552
[2,4-bis[(E)-2-(4-bromophenyl)ethenyl]quinolin-3-yl]-phenylmethanone
CID 166593599
[2-[(E)-2-(4-bromophenyl)ethenyl]-4-[(E)-2-phenylethenyl]quinolin-3-yl]-phenylmethanone
CID 166593612
4-(6-Bromopyridin-2-yl)benzaldehyde
CID 11076239
4-(2,6-Diphenyl-4-pyridinyl)benzaldehyde
CID 15529647
4-[5-(4-Bromophenyl)-2-pyridinyl]benzaldehyde
CID 19867183
4-[6-(4-Bromophenyl)-3-pyridinyl]benzaldehyde
CID 19867344
2-[6-[2-(4-Bromophenyl)-2-oxoethyl]-1-methylpyridin-1-ium-2-yl]-1-phenylethanone
CID 22719854
1-(4-Bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpyridin-1-ium-2-yl]ethanone
CID 22719873

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde?
The IUPAC name of 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde (CID 161259091) is 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde.
What is the SMILES notation for 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde?
The canonical SMILES for 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde is Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(Br)cc3)n2)cc1.CC(=O)c1ccc(Br)cc1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde?
The InChIKey is VCHWNVZNFQMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-14-10-23(11-15-26)28-18-25(19-29(32-28)24-12-16-27(31)17-13-24)22-8-6-21(7-9-22)20-4-2-1-3-5-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-2-4-8(9)5-3-7/h1-19H;1-10H;2-5H,1H3.
What are the key properties of 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde?
2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde has a molecular weight of 922.56 g/mol, XLogP of 15.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(4-bromophenyl)ethanone;4-phenylbenzaldehyde is sourced from PubChem (CID 161259091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).