9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole

C18H10BrNS2 — CID 146321312

IUPAC9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole
SMILESBrc1c(-n2c3ccccc3c3ccccc32)sc2ccsc12
InChIInChI=1S/C18H10BrNS2/c19-16-17-15(9-10-21-17)22-18(16)20-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20/h1-10H
InChIKeyBFSQXRBRRUCARC-UHFFFAOYSA-N
MW384.32 g/mol
LogP6.82
Rot. Bonds1

About 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole

9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole (PubChem CID 146321312) has the molecular formula C18H10BrNS2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole.

Molecular Properties

Compound Name9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole
PubChem CID146321312
Molecular FormulaC18H10BrNS2
Molecular Weight384.32 g/mol
Exact Mass382.94
IUPAC Name9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole
SMILESBrc1c(-n2c3ccccc3c3ccccc32)sc2ccsc12
InChIInChI=1S/C18H10BrNS2/c19-16-17-15(9-10-21-17)22-18(16)20-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20/h1-10H
InChIKeyBFSQXRBRRUCARC-UHFFFAOYSA-N
XLogP6.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

thieno[3,2-b][1]benzothiole
CID 605457
3-pyridin-2-yl-9-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrido[3,4-b]indole
CID 140711347
dibenzothiophene;9,10-dimethylphenanthrene;3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 145347991
dibenzothiophene;9-phenylcarbazole
CID 142415981
6-(1-benzothiophen-2-yl)thieno[3,2-c]carbazole
CID 123366625
3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
CID 59359205
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
4-(2-methoxyphenyl)thieno[3,2-b]indole
CID 164669908
6-bromo-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 122578784
2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
CID 164883360
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-thiophen-3-ylcarbazole
CID 101439489

Frequently Asked Questions

What is the IUPAC name of 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole?
The IUPAC name of 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole (CID 146321312) is 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole.
What is the SMILES notation for 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole?
The canonical SMILES for 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole is Brc1c(-n2c3ccccc3c3ccccc32)sc2ccsc12.
What is the InChIKey of 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole?
The InChIKey is BFSQXRBRRUCARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNS2/c19-16-17-15(9-10-21-17)22-18(16)20-13-7-3-1-5-11(13)12-6-2-4-8-14(12)20/h1-10H.
What are the key properties of 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole?
9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole has a molecular weight of 384.32 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-bromothieno[3,2-b]thiophen-5-yl)carbazole is sourced from PubChem (CID 146321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).