2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole

C48H28N2O2S — CID 58511013

IUPAC2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc(Oc5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)cc12
InChIInChI=1S/C48H28N2O2S/c1-5-13-41-33(9-1)35-21-19-31(27-43(35)49(41)29-17-23-46-39(25-29)37-11-3-7-15-45(37)52-46)51-32-20-22-36-34-10-2-6-14-42(34)50(44(36)28-32)30-18-24-48-40(26-30)38-12-4-8-16-47(38)53-48/h1-28H
InChIKeyVMOCLTAGFBGVIS-UHFFFAOYSA-N
MW696.83 g/mol
LogP13.94
Rot. Bonds4

About 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole

2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole (PubChem CID 58511013) has the molecular formula C48H28N2O2S and a molecular weight of 696.83 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole
PubChem CID58511013
Molecular FormulaC48H28N2O2S
Molecular Weight696.83 g/mol
Exact Mass696.19
IUPAC Name2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc(Oc5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)cc12
InChIInChI=1S/C48H28N2O2S/c1-5-13-41-33(9-1)35-21-19-31(27-43(35)49(41)29-17-23-46-39(25-29)37-11-3-7-15-45(37)52-46)51-32-20-22-36-34-10-2-6-14-42(34)50(44(36)28-32)30-18-24-48-40(26-30)38-12-4-8-16-47(38)53-48/h1-28H
InChIKeyVMOCLTAGFBGVIS-UHFFFAOYSA-N
XLogP13.94
TPSA32.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.83
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole (CID 58511013) is 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole is c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc(Oc5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c5)cc43)cc12.
What is the InChIKey of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole?
The InChIKey is VMOCLTAGFBGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2S/c1-5-13-41-33(9-1)35-21-19-31(27-43(35)49(41)29-17-23-46-39(25-29)37-11-3-7-15-45(37)52-46)51-32-20-22-36-34-10-2-6-14-42(34)50(44(36)28-32)30-18-24-48-40(26-30)38-12-4-8-16-47(38)53-48/h1-28H.
What are the key properties of 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole?
2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole has a molecular weight of 696.83 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-ylcarbazol-2-yl)oxy-9-dibenzothiophen-2-ylcarbazole is sourced from PubChem (CID 58511013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).