1-bromo-5,5-dinaphthalen-2-yldibenzothiophene

C32H21BrS — CID 139447469

IUPAC1-bromo-5,5-dinaphthalen-2-yldibenzothiophene
SMILESBrc1cccc2c1-c1ccccc1S2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H21BrS/c33-29-13-7-15-31-32(29)28-12-5-6-14-30(28)34(31,26-18-16-22-8-1-3-10-24(22)20-26)27-19-17-23-9-2-4-11-25(23)21-27/h1-21H
InChIKeyKUUDKMURLNLLEA-UHFFFAOYSA-N
MW517.49 g/mol
LogP10.08
Rot. Bonds2

About 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene

1-bromo-5,5-dinaphthalen-2-yldibenzothiophene (PubChem CID 139447469) has the molecular formula C32H21BrS and a molecular weight of 517.49 g/mol. Its IUPAC name is 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene.

Molecular Properties

Compound Name1-bromo-5,5-dinaphthalen-2-yldibenzothiophene
PubChem CID139447469
Molecular FormulaC32H21BrS
Molecular Weight517.49 g/mol
Exact Mass516.05
IUPAC Name1-bromo-5,5-dinaphthalen-2-yldibenzothiophene
SMILESBrc1cccc2c1-c1ccccc1S2(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H21BrS/c33-29-13-7-15-31-32(29)28-12-5-6-14-30(28)34(31,26-18-16-22-8-1-3-10-24(22)20-26)27-19-17-23-9-2-4-11-25(23)21-27/h1-21H
InChIKeyKUUDKMURLNLLEA-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.49
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene 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-bromo-5,5-dimethyldibenzothiophene
CID 139447500
6-bromobenzo[k]fluoranthene
CID 86073860
7,7-diphenylnaphtho[2,1-b][1]benzothiole
CID 166995222
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
14,14-diphenyl-14λ4-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 134455264
2-bromo-1-(7-bromonaphthalen-1-yl)naphthalene
CID 139178070
16-bromo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 145313490
2-bromonaphthalene
CID 50940586
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
6-bromobenzo[7]annulen-7-one
CID 14958675

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene?
The IUPAC name of 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene (CID 139447469) is 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene.
What is the SMILES notation for 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene?
The canonical SMILES for 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene is Brc1cccc2c1-c1ccccc1S2(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene?
The InChIKey is KUUDKMURLNLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrS/c33-29-13-7-15-31-32(29)28-12-5-6-14-30(28)34(31,26-18-16-22-8-1-3-10-24(22)20-26)27-19-17-23-9-2-4-11-25(23)21-27/h1-21H.
What are the key properties of 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene?
1-bromo-5,5-dinaphthalen-2-yldibenzothiophene has a molecular weight of 517.49 g/mol, XLogP of 10.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,5-dinaphthalen-2-yldibenzothiophene is sourced from PubChem (CID 139447469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).