2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole

C23H17Br2NS2 — CID 155204610

IUPAC2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2cc(-c3sccc3Br)ccc2c2ccc(-c3sccc3Br)cc21
InChIInChI=1S/C23H17Br2NS2/c1-13(2)26-20-11-14(22-18(24)7-9-27-22)3-5-16(20)17-6-4-15(12-21(17)26)23-19(25)8-10-28-23/h3-13H,1-2H3
InChIKeyYLIVVVZVTQXQTA-UHFFFAOYSA-N
MW531.34 g/mol
LogP9.36
Rot. Bonds3

About 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole

2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole (PubChem CID 155204610) has the molecular formula C23H17Br2NS2 and a molecular weight of 531.34 g/mol. Its IUPAC name is 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole.

Molecular Properties

Compound Name2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole
PubChem CID155204610
Molecular FormulaC23H17Br2NS2
Molecular Weight531.34 g/mol
Exact Mass528.92
IUPAC Name2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2cc(-c3sccc3Br)ccc2c2ccc(-c3sccc3Br)cc21
InChIInChI=1S/C23H17Br2NS2/c1-13(2)26-20-11-14(22-18(24)7-9-27-22)3-5-16(20)17-6-4-15(12-21(17)26)23-19(25)8-10-28-23/h3-13H,1-2H3
InChIKeyYLIVVVZVTQXQTA-UHFFFAOYSA-N
XLogP9.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.34
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole?
The IUPAC name of 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole (CID 155204610) is 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole.
What is the SMILES notation for 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole?
The canonical SMILES for 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole is CC(C)n1c2cc(-c3sccc3Br)ccc2c2ccc(-c3sccc3Br)cc21.
What is the InChIKey of 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole?
The InChIKey is YLIVVVZVTQXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Br2NS2/c1-13(2)26-20-11-14(22-18(24)7-9-27-22)3-5-16(20)17-6-4-15(12-21(17)26)23-19(25)8-10-28-23/h3-13H,1-2H3.
What are the key properties of 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole?
2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole has a molecular weight of 531.34 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3-bromothiophen-2-yl)-9-propan-2-ylcarbazole is sourced from PubChem (CID 155204610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).