2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran

C24H12BrClOS — CID 164934376

IUPAC2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran
SMILESClc1cccc2sc3cc(-c4cc(Br)cc5c4oc4ccccc45)ccc3c12
InChIInChI=1S/C24H12BrClOS/c25-14-11-17(24-18(12-14)15-4-1-2-6-20(15)27-24)13-8-9-16-22(10-13)28-21-7-3-5-19(26)23(16)21/h1-12H
InChIKeyNMLGIBMARAVZGW-UHFFFAOYSA-N
MW463.78 g/mol
LogP9.04
Rot. Bonds1

About 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran

2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran (PubChem CID 164934376) has the molecular formula C24H12BrClOS and a molecular weight of 463.78 g/mol. Its IUPAC name is 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran
PubChem CID164934376
Molecular FormulaC24H12BrClOS
Molecular Weight463.78 g/mol
Exact Mass461.95
IUPAC Name2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran
SMILESClc1cccc2sc3cc(-c4cc(Br)cc5c4oc4ccccc45)ccc3c12
InChIInChI=1S/C24H12BrClOS/c25-14-11-17(24-18(12-14)15-4-1-2-6-20(15)27-24)13-8-9-16-22(10-13)28-21-7-3-5-19(26)23(16)21/h1-12H
InChIKeyNMLGIBMARAVZGW-UHFFFAOYSA-N
XLogP9.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.78
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran 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

2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
2-[3-(9-dibenzofuran-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377179
8-bromo-1-dibenzothiophen-3-yldibenzothiophene
CID 170180168
3-(3-dibenzofuran-4-ylphenyl)thioxanthen-9-one
CID 69281102
15-chloro-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 177271268
2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3-benzoxazole
CID 153175307
3-[3-dibenzofuran-3-yl-5-[7-[3,5-di(dibenzofuran-3-yl)phenyl]triphenylen-2-yl]phenyl]-6-(7-triphenylen-2-yldibenzothiophen-3-yl)dibenzofuran
CID 137458884
16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185868
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978385
6-N,18-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,18-N-diphenyl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475631
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran?
The IUPAC name of 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran (CID 164934376) is 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran.
What is the SMILES notation for 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran?
The canonical SMILES for 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran is Clc1cccc2sc3cc(-c4cc(Br)cc5c4oc4ccccc45)ccc3c12.
What is the InChIKey of 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran?
The InChIKey is NMLGIBMARAVZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12BrClOS/c25-14-11-17(24-18(12-14)15-4-1-2-6-20(15)27-24)13-8-9-16-22(10-13)28-21-7-3-5-19(26)23(16)21/h1-12H.
What are the key properties of 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran?
2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran has a molecular weight of 463.78 g/mol, XLogP of 9.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(9-chlorodibenzothiophen-3-yl)dibenzofuran is sourced from PubChem (CID 164934376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).