2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde

C50H36Br3NO2 — CID 157273401

IUPAC2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde
SMILESBrc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(Br)c3)n2)c1.CC(=O)c1cccc(Br)c1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-10-4-8-23(16-26)28-18-25(19-29(32-28)24-9-5-11-27(31)17-24)22-14-12-21(13-15-22)20-6-2-1-3-7-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-3-2-4-8(9)5-7/h1-19H;1-10H;2-5H,1H3
InChIKeyAYUMZYCBKOJGIF-UHFFFAOYSA-N
MW922.56 g/mol
LogP15.09
Rot. Bonds7

About 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde

2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde (PubChem CID 157273401) has the molecular formula C50H36Br3NO2 and a molecular weight of 922.56 g/mol. Its IUPAC name is 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde.

Molecular Properties

Compound Name2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde
PubChem CID157273401
Molecular FormulaC50H36Br3NO2
Molecular Weight922.56 g/mol
Exact Mass919.03
IUPAC Name2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde
SMILESBrc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(Br)c3)n2)c1.CC(=O)c1cccc(Br)c1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-10-4-8-23(16-26)28-18-25(19-29(32-28)24-9-5-11-27(31)17-24)22-14-12-21(13-15-22)20-6-2-1-3-7-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-3-2-4-8(9)5-7/h1-19H;1-10H;2-5H,1H3
InChIKeyAYUMZYCBKOJGIF-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-(3-Bromo-phenyl)-1-(2-fluoro-6-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one
CID 66666197
4-(6-Bromopyridin-2-yl)benzaldehyde
CID 11076239
4-(2,6-Diphenyl-4-pyridinyl)benzaldehyde
CID 15529647
[4-[6-(4-Benzoylphenyl)-2-pyridinyl]phenyl]-phenylmethanone
CID 57249372
(2,5-Dimethylphenyl)-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]methanone
CID 57789533
[3-[6-[3-(4-Methylbenzoyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-(4-methylphenyl)methanone
CID 57864973
(E)-3-[3-[6-[3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 58692997
3-(4-Bromo-phenyl)-1-(2,6-dimethyl-pyridin-4-yl)-2-phenyl-propan-1-one
CID 66668245
1-(3-Bromophenyl)-2-(6-methylpyridin-2-yl)ethanone
CID 69350663
1-(3-Bromophenyl)-2-(6-ethyl-2-pyridinyl)ethanone
CID 69350896
3-[3-[6-[3-(3-Oxo-3-phenylprop-1-enyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-1-phenylprop-2-en-1-one
CID 72393923
1-(6-acetyl-2-pyridinyl)ethanone;bis(N,1,1-triphenylmethanimine)
CID 88038786

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde?
The IUPAC name of 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde (CID 157273401) is 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde.
What is the SMILES notation for 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde?
The canonical SMILES for 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde is Brc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3cccc(Br)c3)n2)c1.CC(=O)c1cccc(Br)c1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde?
The InChIKey is AYUMZYCBKOJGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Br2N.C13H10O.C8H7BrO/c30-26-10-4-8-23(16-26)28-18-25(19-29(32-28)24-9-5-11-27(31)17-24)22-14-12-21(13-15-22)20-6-2-1-3-7-20;14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-6(10)7-3-2-4-8(9)5-7/h1-19H;1-10H;2-5H,1H3.
What are the key properties of 2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde?
2,6-bis(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-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(3-bromophenyl)-4-(4-phenylphenyl)pyridine;1-(3-bromophenyl)ethanone;4-phenylbenzaldehyde is sourced from PubChem (CID 157273401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).