2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole

C36H24BrNS — CID 118337446

IUPAC2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1cccc(C2CC=CC=C2c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1
InChIInChI=1S/C36H24BrNS/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-16-32(28)38(34(29)22-24)33-17-8-15-31-30-14-4-6-18-35(30)39-36(31)33/h1-10,12-22,26H,11H2
InChIKeySPXIUKVNRHXEEU-UHFFFAOYSA-N
MW582.57 g/mol
LogP11.04
Rot. Bonds3

About 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole

2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole (PubChem CID 118337446) has the molecular formula C36H24BrNS and a molecular weight of 582.57 g/mol. Its IUPAC name is 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole
PubChem CID118337446
Molecular FormulaC36H24BrNS
Molecular Weight582.57 g/mol
Exact Mass581.08
IUPAC Name2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1cccc(C2CC=CC=C2c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1
InChIInChI=1S/C36H24BrNS/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-16-32(28)38(34(29)22-24)33-17-8-15-31-30-14-4-6-18-35(30)39-36(31)33/h1-10,12-22,26H,11H2
InChIKeySPXIUKVNRHXEEU-UHFFFAOYSA-N
XLogP11.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.57
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
7-dibenzothiophen-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 166591963
9-dibenzothiophen-4-yl-3-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 126755928

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole (CID 118337446) is 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole is Brc1cccc(C2CC=CC=C2c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1.
What is the InChIKey of 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is SPXIUKVNRHXEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BrNS/c37-25-10-7-9-23(21-25)26-11-1-2-12-27(26)24-19-20-29-28-13-3-5-16-32(28)38(34(29)22-24)33-17-8-15-31-30-14-4-6-18-35(30)39-36(31)33/h1-10,12-22,26H,11H2.
What are the key properties of 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole?
2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 582.57 g/mol, XLogP of 11.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 118337446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).