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

C54H32N2OS — CID 90348739

IUPAC9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H
InChIKeyOMYALYZNTYSNKE-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

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

9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole (PubChem CID 90348739) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
PubChem CID90348739
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H
InChIKeyOMYALYZNTYSNKE-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 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The IUPAC name of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole (CID 90348739) is 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6sc7ccccc7c6c5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
The InChIKey is OMYALYZNTYSNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-13-33(14-3-1)43-32-50-44(37-16-5-9-21-47(37)56(50)48-22-12-19-41-39-17-6-10-23-51(39)57-54(41)48)31-42(43)34-25-27-38-36-15-4-8-20-46(36)55(49(38)29-34)35-26-28-53-45(30-35)40-18-7-11-24-52(40)58-53/h1-32H.
What are the key properties of 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole?
9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-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 9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole is sourced from PubChem (CID 90348739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).