3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole

C48H27BrN2O2 — CID 90347879

IUPAC3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C48H27BrN2O2/c49-30-15-20-44-38(25-30)37-24-29(14-19-43(37)51(44)32-17-22-48-40(27-32)35-9-3-6-12-46(35)53-48)28-13-18-42-36(23-28)33-7-1-4-10-41(33)50(42)31-16-21-47-39(26-31)34-8-2-5-11-45(34)52-47/h1-27H
InChIKeyDYSDPXVSRLROOH-UHFFFAOYSA-N
MW743.66 g/mol
LogP14.11
Rot. Bonds3

About 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole

3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole (PubChem CID 90347879) has the molecular formula C48H27BrN2O2 and a molecular weight of 743.66 g/mol. Its IUPAC name is 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
PubChem CID90347879
Molecular FormulaC48H27BrN2O2
Molecular Weight743.66 g/mol
Exact Mass742.13
IUPAC Name3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C48H27BrN2O2/c49-30-15-20-44-38(25-30)37-24-29(14-19-43(37)51(44)32-17-22-48-40(27-32)35-9-3-6-12-46(35)53-48)28-13-18-42-36(23-28)33-7-1-4-10-41(33)50(42)31-16-21-47-39(26-31)34-8-2-5-11-45(34)52-47/h1-27H
InChIKeyDYSDPXVSRLROOH-UHFFFAOYSA-N
XLogP14.11
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.66
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The IUPAC name of 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole (CID 90347879) is 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole is Brc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
The InChIKey is DYSDPXVSRLROOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27BrN2O2/c49-30-15-20-44-38(25-30)37-24-29(14-19-43(37)51(44)32-17-22-48-40(27-32)35-9-3-6-12-46(35)53-48)28-13-18-42-36(23-28)33-7-1-4-10-41(33)50(42)31-16-21-47-39(26-31)34-8-2-5-11-45(34)52-47/h1-27H.
What are the key properties of 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole?
3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole has a molecular weight of 743.66 g/mol, XLogP of 14.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-dibenzofuran-2-yl-6-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole is sourced from PubChem (CID 90347879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).