4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine

C20H18BrN — CID 66666079

IUPAC4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
SMILESBrc1cccc(C(CCc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C20H18BrN/c21-19-8-4-7-18(15-19)20(17-5-2-1-3-6-17)10-9-16-11-13-22-14-12-16/h1-8,11-15,20H,9-10H2
InChIKeyADCCVBYBMXDERH-UHFFFAOYSA-N
MW352.28 g/mol
LogP5.61
Rot. Bonds5

About 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine

4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine (PubChem CID 66666079) has the molecular formula C20H18BrN and a molecular weight of 352.28 g/mol. Its IUPAC name is 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine.

Molecular Properties

Compound Name4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
PubChem CID66666079
Molecular FormulaC20H18BrN
Molecular Weight352.28 g/mol
Exact Mass351.06
IUPAC Name4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine
SMILESBrc1cccc(C(CCc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C20H18BrN/c21-19-8-4-7-18(15-19)20(17-5-2-1-3-6-17)10-9-16-11-13-22-14-12-16/h1-8,11-15,20H,9-10H2
InChIKeyADCCVBYBMXDERH-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.28
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 151109917
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CID 56932437
2-(3-bromophenyl)-2-phenylethanol
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1-bromo-4-[3-phenyl-3-(4-phenylphenyl)propyl]benzene
CID 144705037
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
CID 43094769
[1-(3-bromophenyl)-4-phenylbutyl]hydrazine
CID 105197868
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
5-phenyl-5-pyridin-4-ylpentan-1-amine
CID 117068143
methyl 3-(3-bromophenyl)-3-phenylpropanoate
CID 166079744
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine?
The IUPAC name of 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine (CID 66666079) is 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine.
What is the SMILES notation for 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine?
The canonical SMILES for 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine is Brc1cccc(C(CCc2ccncc2)c2ccccc2)c1.
What is the InChIKey of 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine?
The InChIKey is ADCCVBYBMXDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN/c21-19-8-4-7-18(15-19)20(17-5-2-1-3-6-17)10-9-16-11-13-22-14-12-16/h1-8,11-15,20H,9-10H2.
What are the key properties of 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine?
4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine has a molecular weight of 352.28 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromophenyl)-3-phenylpropyl]pyridine is sourced from PubChem (CID 66666079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).