2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole

C30H18BrNS — CID 118349523

IUPAC2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1
InChIInChI=1S/C30H18BrNS/c31-21-8-5-7-19(17-21)20-15-16-23-22-9-1-3-12-26(22)32(28(23)18-20)27-13-6-11-25-24-10-2-4-14-29(24)33-30(25)27/h1-18H
InChIKeyRSSCGMYQDDICHN-UHFFFAOYSA-N
MW504.45 g/mol
LogP9.58
Rot. Bonds2

About 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole

2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole (PubChem CID 118349523) has the molecular formula C30H18BrNS and a molecular weight of 504.45 g/mol. Its IUPAC name is 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
PubChem CID118349523
Molecular FormulaC30H18BrNS
Molecular Weight504.45 g/mol
Exact Mass503.03
IUPAC Name2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
SMILESBrc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1
InChIInChI=1S/C30H18BrNS/c31-21-8-5-7-19(17-21)20-15-16-23-22-9-1-3-12-26(22)32(28(23)18-20)27-13-6-11-25-24-10-2-4-14-29(24)33-30(25)27/h1-18H
InChIKeyRSSCGMYQDDICHN-UHFFFAOYSA-N
XLogP9.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.45
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
2-[6-(3-bromophenyl)cyclohexa-1,3-dien-1-yl]-9-dibenzothiophen-4-ylcarbazole
CID 118337446
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
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-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
7-dibenzothiophen-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 166591963

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole (CID 118349523) is 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole is Brc1cccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is RSSCGMYQDDICHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrNS/c31-21-8-5-7-19(17-21)20-15-16-23-22-9-1-3-12-26(22)32(28(23)18-20)27-13-6-11-25-24-10-2-4-14-29(24)33-30(25)27/h1-18H.
What are the key properties of 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole?
2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 504.45 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 118349523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).