4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene

C37H25BrS — CID 146367347

IUPAC4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene
SMILESBrc1cc(/C=C(/Cc2cccc3ccccc23)c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C37H25BrS/c38-31-22-25(21-30(24-31)33-17-9-18-35-34-16-6-7-19-36(34)39-37(33)35)20-29(26-10-2-1-3-11-26)23-28-14-8-13-27-12-4-5-15-32(27)28/h1-22,24H,23H2/b29-20-
InChIKeyYNHDGHMFCHFHOX-BRPDVVIDSA-N
MW581.58 g/mol
LogP11.42
Rot. Bonds5

About 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene

4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene (PubChem CID 146367347) has the molecular formula C37H25BrS and a molecular weight of 581.58 g/mol. Its IUPAC name is 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene
PubChem CID146367347
Molecular FormulaC37H25BrS
Molecular Weight581.58 g/mol
Exact Mass580.09
IUPAC Name4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene
SMILESBrc1cc(/C=C(/Cc2cccc3ccccc23)c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C37H25BrS/c38-31-22-25(21-30(24-31)33-17-9-18-35-34-16-6-7-19-36(34)39-37(33)35)20-29(26-10-2-1-3-11-26)23-28-14-8-13-27-12-4-5-15-32(27)28/h1-22,24H,23H2/b29-20-
InChIKeyYNHDGHMFCHFHOX-BRPDVVIDSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.58
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene 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

4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2,6-diphenylpyrimidine
CID 171582581
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3-dibenzothiophen-4-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583500
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526
1-bromo-3-chloro-5-phenylbenzene;4-(3-chloro-5-phenylphenyl)dibenzothiophene;dibenzothiophen-4-ylboronic acid;methane
CID 162026828
2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162118149
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene?
The IUPAC name of 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene (CID 146367347) is 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene is Brc1cc(/C=C(/Cc2cccc3ccccc23)c2ccccc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene?
The InChIKey is YNHDGHMFCHFHOX-BRPDVVIDSA-N. The full InChI is InChI=1S/C37H25BrS/c38-31-22-25(21-30(24-31)33-17-9-18-35-34-16-6-7-19-36(34)39-37(33)35)20-29(26-10-2-1-3-11-26)23-28-14-8-13-27-12-4-5-15-32(27)28/h1-22,24H,23H2/b29-20-.
What are the key properties of 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene?
4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene has a molecular weight of 581.58 g/mol, XLogP of 11.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene is sourced from PubChem (CID 146367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).