11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole

C28H15BrS2 — CID 146663717

IUPAC11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
SMILESBrc1cccc2sc3ccc(-c4c5ccccc5cc5sc6ccccc6c45)cc3c12
InChIInChI=1S/C28H15BrS2/c29-21-9-5-11-24-27(21)20-14-17(12-13-23(20)30-24)26-18-7-2-1-6-16(18)15-25-28(26)19-8-3-4-10-22(19)31-25/h1-15H
InChIKeyBYLCTVACTZGINH-UHFFFAOYSA-N
MW495.47 g/mol
LogP10.01
Rot. Bonds1

About 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole

11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole (PubChem CID 146663717) has the molecular formula C28H15BrS2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
PubChem CID146663717
Molecular FormulaC28H15BrS2
Molecular Weight495.47 g/mol
Exact Mass493.98
IUPAC Name11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
SMILESBrc1cccc2sc3ccc(-c4c5ccccc5cc5sc6ccccc6c45)cc3c12
InChIInChI=1S/C28H15BrS2/c29-21-9-5-11-24-27(21)20-14-17(12-13-23(20)30-24)26-18-7-2-1-6-16(18)15-25-28(26)19-8-3-4-10-22(19)31-25/h1-15H
InChIKeyBYLCTVACTZGINH-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.47
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 15481238
4-naphtho[3,2-b][1]benzothiol-11-ylphenol
CID 10782388
1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
CID 146369031
3-(9-bromodibenzothiophen-2-yl)-9-phenanthren-3-ylcarbazole
CID 129126411
1-bromo-8-[2-(3-chlorophenyl)phenyl]dibenzothiophene
CID 163869830
2-(3-naphtho[3,2-b][1]benzothiol-11-ylphenyl)-4,6-diphenyl-1,3,5-triazinane
CID 163997133
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548
(4-naphtho[3,2-b][1]benzothiol-11-ylphenyl) methanesulfonate
CID 15481262
10-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzothiole
CID 122426548
18-anthracen-9-yl-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 130212682
18-(10-naphthalen-1-ylanthracen-9-yl)-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163504489

Frequently Asked Questions

What is the IUPAC name of 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole?
The IUPAC name of 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole (CID 146663717) is 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole?
The canonical SMILES for 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole is Brc1cccc2sc3ccc(-c4c5ccccc5cc5sc6ccccc6c45)cc3c12.
What is the InChIKey of 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole?
The InChIKey is BYLCTVACTZGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15BrS2/c29-21-9-5-11-24-27(21)20-14-17(12-13-23(20)30-24)26-18-7-2-1-6-16(18)15-25-28(26)19-8-3-4-10-22(19)31-25/h1-15H.
What are the key properties of 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole?
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole has a molecular weight of 495.47 g/mol, XLogP of 10.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 146663717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).