3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole

C42H24Br2N2S — CID 71232851

IUPAC3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H24Br2N2S/c43-27-12-17-39-34(22-27)32-20-25(10-15-37(32)45(39)29-6-2-1-3-7-29)26-11-16-38-33(21-26)35-23-28(44)13-18-40(35)46(38)30-14-19-42-36(24-30)31-8-4-5-9-41(31)47-42/h1-24H
InChIKeyFZOXCEXIMOBUOR-UHFFFAOYSA-N
MW748.54 g/mol
LogP13.44
Rot. Bonds3

About 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole

3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 71232851) has the molecular formula C42H24Br2N2S and a molecular weight of 748.54 g/mol. Its IUPAC name is 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID71232851
Molecular FormulaC42H24Br2N2S
Molecular Weight748.54 g/mol
Exact Mass746.00
IUPAC Name3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C42H24Br2N2S/c43-27-12-17-39-34(22-27)32-20-25(10-15-37(32)45(39)29-6-2-1-3-7-29)26-11-16-38-33(21-26)35-23-28(44)13-18-40(35)46(38)30-14-19-42-36(24-30)31-8-4-5-9-41(31)47-42/h1-24H
InChIKeyFZOXCEXIMOBUOR-UHFFFAOYSA-N
XLogP13.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.54
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole (CID 71232851) is 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole is Brc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(Br)ccc3n4-c3ccc4sc5ccccc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is FZOXCEXIMOBUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Br2N2S/c43-27-12-17-39-34(22-27)32-20-25(10-15-37(32)45(39)29-6-2-1-3-7-29)26-11-16-38-33(21-26)35-23-28(44)13-18-40(35)46(38)30-14-19-42-36(24-30)31-8-4-5-9-41(31)47-42/h1-24H.
What are the key properties of 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 748.54 g/mol, XLogP of 13.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(6-bromo-9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 71232851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).