3-bromo-9-(5-phenylthiophen-2-yl)carbazole

C22H14BrNS — CID 139271955

IUPAC3-bromo-9-(5-phenylthiophen-2-yl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C22H14BrNS/c23-16-10-11-20-18(14-16)17-8-4-5-9-19(17)24(20)22-13-12-21(25-22)15-6-2-1-3-7-15/h1-14H
InChIKeyRYIJYVYRSHDKQL-UHFFFAOYSA-N
MW404.33 g/mol
LogP7.27
Rot. Bonds2

About 3-bromo-9-(5-phenylthiophen-2-yl)carbazole

3-bromo-9-(5-phenylthiophen-2-yl)carbazole (PubChem CID 139271955) has the molecular formula C22H14BrNS and a molecular weight of 404.33 g/mol. Its IUPAC name is 3-bromo-9-(5-phenylthiophen-2-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(5-phenylthiophen-2-yl)carbazole
PubChem CID139271955
Molecular FormulaC22H14BrNS
Molecular Weight404.33 g/mol
Exact Mass403.00
IUPAC Name3-bromo-9-(5-phenylthiophen-2-yl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)s1
InChIInChI=1S/C22H14BrNS/c23-16-10-11-20-18(14-16)17-8-4-5-9-19(17)24(20)22-13-12-21(25-22)15-6-2-1-3-7-15/h1-14H
InChIKeyRYIJYVYRSHDKQL-UHFFFAOYSA-N
XLogP7.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.33
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
CID 118087614
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
CID 147627416
CID 147627416
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(5-phenylthiophen-2-yl)carbazole?
The IUPAC name of 3-bromo-9-(5-phenylthiophen-2-yl)carbazole (CID 139271955) is 3-bromo-9-(5-phenylthiophen-2-yl)carbazole.
What is the SMILES notation for 3-bromo-9-(5-phenylthiophen-2-yl)carbazole?
The canonical SMILES for 3-bromo-9-(5-phenylthiophen-2-yl)carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-bromo-9-(5-phenylthiophen-2-yl)carbazole?
The InChIKey is RYIJYVYRSHDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNS/c23-16-10-11-20-18(14-16)17-8-4-5-9-19(17)24(20)22-13-12-21(25-22)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 3-bromo-9-(5-phenylthiophen-2-yl)carbazole?
3-bromo-9-(5-phenylthiophen-2-yl)carbazole has a molecular weight of 404.33 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(5-phenylthiophen-2-yl)carbazole is sourced from PubChem (CID 139271955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).