1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene

C33H25Br — CID 175447988

IUPAC1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene
SMILESC=CC(Br)(c1ccccc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H25Br/c1-2-33(34,28-21-13-6-14-22-28)30-24-23-29(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)32(30)27-19-11-5-12-20-27/h2-24H,1H2
InChIKeyPKYDKKNYKXEHSK-UHFFFAOYSA-N
MW501.47 g/mol
LogP9.51
Rot. Bonds6

About 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene

1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene (PubChem CID 175447988) has the molecular formula C33H25Br and a molecular weight of 501.47 g/mol. Its IUPAC name is 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene.

Molecular Properties

Compound Name1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene
PubChem CID175447988
Molecular FormulaC33H25Br
Molecular Weight501.47 g/mol
Exact Mass500.11
IUPAC Name1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene
SMILESC=CC(Br)(c1ccccc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H25Br/c1-2-33(34,28-21-13-6-14-22-28)30-24-23-29(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)32(30)27-19-11-5-12-20-27/h2-24H,1H2
InChIKeyPKYDKKNYKXEHSK-UHFFFAOYSA-N
XLogP9.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.47
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene 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

1,2,3-triphenyl-4-(trichloromethyl)benzene
CID 57019840
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
ruthenium;(2,3,4-triphenylphenyl)phosphane
CID 161293596
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
1-bromo-2-ethenyl-3,4,5-triphenylbenzene
CID 175315549
[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
CID 160830813
1-ethenyl-2,3-diphenyl-4-(3-phenylphenyl)benzene
CID 91153178
1,1-dichloroprop-2-enylbenzene
CID 23350286
1-(bromomethyl)-2,3,4-triphenylbenzene;phosphane
CID 87586907
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
bromo-(2,3,4-triphenylphenyl)phosphinous acid
CID 142735464
(2,3,4-triphenylphenyl)sulfanylmethylphosphane
CID 23186709

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene?
The IUPAC name of 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene (CID 175447988) is 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene.
What is the SMILES notation for 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene?
The canonical SMILES for 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene is C=CC(Br)(c1ccccc1)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene?
The InChIKey is PKYDKKNYKXEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25Br/c1-2-33(34,28-21-13-6-14-22-28)30-24-23-29(25-15-7-3-8-16-25)31(26-17-9-4-10-18-26)32(30)27-19-11-5-12-20-27/h2-24H,1H2.
What are the key properties of 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene?
1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene has a molecular weight of 501.47 g/mol, XLogP of 9.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-1-phenylprop-2-enyl)-2,3,4-triphenylbenzene is sourced from PubChem (CID 175447988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).