ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide

C22H21Br — CID 174914865

IUPACethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
SMILESBr.C(=Cc1ccccc1-c1ccccc1)c1ccccc1.C=C
InChIInChI=1S/C20H16.C2H4.BrH/c1-3-9-17(10-4-1)15-16-19-13-7-8-14-20(19)18-11-5-2-6-12-18;1-2;/h1-16H;1-2H2;1H
InChIKeyUBPFXYKJDCFQOS-UHFFFAOYSA-N
MW365.31 g/mol
LogP6.90
Rot. Bonds3

About ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide

ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide (PubChem CID 174914865) has the molecular formula C22H21Br and a molecular weight of 365.31 g/mol. Its IUPAC name is ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide.

Molecular Properties

Compound Nameethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
PubChem CID174914865
Molecular FormulaC22H21Br
Molecular Weight365.31 g/mol
Exact Mass364.08
IUPAC Nameethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
SMILESBr.C(=Cc1ccccc1-c1ccccc1)c1ccccc1.C=C
InChIInChI=1S/C20H16.C2H4.BrH/c1-3-9-17(10-4-1)15-16-19-13-7-8-14-20(19)18-11-5-2-6-12-18;1-2;/h1-16H;1-2H2;1H
InChIKeyUBPFXYKJDCFQOS-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.31
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid
CID 175403932
1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
1-(2-iodoethenyl)-2-phenylbenzene
CID 54062221
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
benzylidene-[2-(2-phenylethenyl)phenyl]borane
CID 69091271
2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933

Frequently Asked Questions

What is the IUPAC name of ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide?
The IUPAC name of ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide (CID 174914865) is ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide.
What is the SMILES notation for ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide?
The canonical SMILES for ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide is Br.C(=Cc1ccccc1-c1ccccc1)c1ccccc1.C=C.
What is the InChIKey of ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide?
The InChIKey is UBPFXYKJDCFQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C2H4.BrH/c1-3-9-17(10-4-1)15-16-19-13-7-8-14-20(19)18-11-5-2-6-12-18;1-2;/h1-16H;1-2H2;1H.
What are the key properties of ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide?
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide has a molecular weight of 365.31 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide is sourced from PubChem (CID 174914865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).