1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole

C54H32N2OS — CID 90321758

IUPAC1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)36-27-28-41-37-15-4-8-20-45(37)55(35-26-30-51-44(32-35)40-18-7-11-24-50(40)58-51)53(41)52(36)34-25-29-47-43(31-34)38-16-5-9-21-46(38)56(47)48-22-12-19-42-39-17-6-10-23-49(39)57-54(42)48/h1-32H
InChIKeyXQIALQKBVGZDMF-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole

1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole (PubChem CID 90321758) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole.

Molecular Properties

Compound Name1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
PubChem CID90321758
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)36-27-28-41-37-15-4-8-20-45(37)55(35-26-30-51-44(32-35)40-18-7-11-24-50(40)58-51)53(41)52(36)34-25-29-47-43(31-34)38-16-5-9-21-46(38)56(47)48-22-12-19-42-39-17-6-10-23-49(39)57-54(42)48/h1-32H
InChIKeyXQIALQKBVGZDMF-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The IUPAC name of 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole (CID 90321758) is 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole.
What is the SMILES notation for 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The canonical SMILES for 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
The InChIKey is XQIALQKBVGZDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)36-27-28-41-37-15-4-8-20-45(37)55(35-26-30-51-44(32-35)40-18-7-11-24-50(40)58-51)53(41)52(36)34-25-29-47-43(31-34)38-16-5-9-21-46(38)56(47)48-22-12-19-42-39-17-6-10-23-49(39)57-54(42)48/h1-32H.
What are the key properties of 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole?
1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole is sourced from PubChem (CID 90321758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).