2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole

C36H22BrNS — CID 118505931

IUPAC2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1
InChIInChI=1S/C36H22BrNS/c37-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-29-28-9-1-3-12-32(28)38(34(29)22-26)33-13-6-11-31-30-10-2-4-14-35(30)39-36(31)33/h1-22H
InChIKeyPSQAOLYVWUCWGB-UHFFFAOYSA-N
MW580.55 g/mol
LogP11.25
Rot. Bonds3

About 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole

2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole (PubChem CID 118505931) has the molecular formula C36H22BrNS and a molecular weight of 580.55 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
PubChem CID118505931
Molecular FormulaC36H22BrNS
Molecular Weight580.55 g/mol
Exact Mass579.07
IUPAC Name2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1
InChIInChI=1S/C36H22BrNS/c37-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-29-28-9-1-3-12-32(28)38(34(29)22-26)33-13-6-11-31-30-10-2-4-14-35(30)39-36(31)33/h1-22H
InChIKeyPSQAOLYVWUCWGB-UHFFFAOYSA-N
XLogP11.25
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.55
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole (CID 118505931) is 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole is Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4c3)c2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is PSQAOLYVWUCWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BrNS/c37-27-18-15-23(16-19-27)24-7-5-8-25(21-24)26-17-20-29-28-9-1-3-12-32(28)38(34(29)22-26)33-13-6-11-31-30-10-2-4-14-35(30)39-36(31)33/h1-22H.
What are the key properties of 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole?
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 580.55 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 118505931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).