4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine

C23H18BrN — CID 143850700

IUPAC4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine
SMILESC=C/C=C(\C=C)c1cc(-c2cccc(Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H18BrN/c1-3-9-17(4-2)22-15-20(19-12-8-13-21(24)14-19)16-23(25-22)18-10-6-5-7-11-18/h3-16H,1-2H2/b17-9+
InChIKeyVPHOVEJAUCBYEN-RQZCQDPDSA-N
MW388.31 g/mol
LogP6.93
Rot. Bonds5

About 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine

4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine (PubChem CID 143850700) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine
PubChem CID143850700
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine
SMILESC=C/C=C(\C=C)c1cc(-c2cccc(Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H18BrN/c1-3-9-17(4-2)22-15-20(19-12-8-13-21(24)14-19)16-23(25-22)18-10-6-5-7-11-18/h3-16H,1-2H2/b17-9+
InChIKeyVPHOVEJAUCBYEN-RQZCQDPDSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
4-but-2-en-2-yl-6-[4-[4-(6-hexa-1,3,5-trien-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 123919872
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
3-[7'-[3-[2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-4-pyridinyl]phenyl]spiro[adamantane-2,9'-fluorene]-1'-yl]benzonitrile
CID 168798686
4-[3-[3-[4-benzyl-3-[(2Z,4Z)-7-pyridin-2-ylhepta-2,4-dienyl]phenyl]phenyl]phenyl]-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine
CID 142384878
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
9-[4-[4-[6-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144512043
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356499
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
2-(3-bromophenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5,6-diphenylpyrazine
CID 171812706
1-bromo-3-phenylbenzene
CID 16449
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine (CID 143850700) is 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine is C=C/C=C(\C=C)c1cc(-c2cccc(Br)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine?
The InChIKey is VPHOVEJAUCBYEN-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H18BrN/c1-3-9-17(4-2)22-15-20(19-12-8-13-21(24)14-19)16-23(25-22)18-10-6-5-7-11-18/h3-16H,1-2H2/b17-9+.
What are the key properties of 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine?
4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine has a molecular weight of 388.31 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenylpyridine is sourced from PubChem (CID 143850700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).