3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole

C42H26BrNS — CID 122666262

IUPAC3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
SMILESBrc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C42H26BrNS/c43-33-22-31(21-32(23-33)30-18-20-42-38(26-30)36-14-5-7-16-41(36)45-42)29-17-19-40-37(25-29)35-13-4-6-15-39(35)44(40)34-12-8-11-28(24-34)27-9-2-1-3-10-27/h1-26H
InChIKeyZEAHGGQKJSCEBR-UHFFFAOYSA-N
MW656.65 g/mol
LogP12.92
Rot. Bonds4

About 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole

3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole (PubChem CID 122666262) has the molecular formula C42H26BrNS and a molecular weight of 656.65 g/mol. Its IUPAC name is 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
PubChem CID122666262
Molecular FormulaC42H26BrNS
Molecular Weight656.65 g/mol
Exact Mass655.10
IUPAC Name3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
SMILESBrc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C42H26BrNS/c43-33-22-31(21-32(23-33)30-18-20-42-38(26-30)36-14-5-7-16-41(36)45-42)29-17-19-40-37(25-29)35-13-4-6-15-39(35)44(40)34-12-8-11-28(24-34)27-9-2-1-3-10-27/h1-26H
InChIKeyZEAHGGQKJSCEBR-UHFFFAOYSA-N
XLogP12.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.65
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-[3-bromo-5-(9-phenylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122472211
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
3-[3-(4-bromophenyl)-5-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118289124
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole (CID 122666262) is 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole is Brc1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole?
The InChIKey is ZEAHGGQKJSCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26BrNS/c43-33-22-31(21-32(23-33)30-18-20-42-38(26-30)36-14-5-7-16-41(36)45-42)29-17-19-40-37(25-29)35-13-4-6-15-39(35)44(40)34-12-8-11-28(24-34)27-9-2-1-3-10-27/h1-26H.
What are the key properties of 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole?
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole has a molecular weight of 656.65 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 122666262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).