3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

C54H32N2OS — CID 58511090

IUPAC3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc12
InChIInChI=1S/C54H32N2OS/c1-5-16-47-39(10-1)44-30-34(22-27-49(44)55(47)36-24-20-33(21-25-36)38-14-9-15-43-41-12-3-7-18-51(41)57-54(38)43)35-23-28-50-45(31-35)40-11-2-6-17-48(40)56(50)37-26-29-53-46(32-37)42-13-4-8-19-52(42)58-53/h1-32H
InChIKeyYORURBZJLOTDIP-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (PubChem CID 58511090) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
PubChem CID58511090
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc12
InChIInChI=1S/C54H32N2OS/c1-5-16-47-39(10-1)44-30-34(22-27-49(44)55(47)36-24-20-33(21-25-36)38-14-9-15-43-41-12-3-7-18-51(41)57-54(38)43)35-23-28-50-45(31-35)40-11-2-6-17-48(40)56(50)37-26-29-53-46(32-37)42-13-4-8-19-52(42)58-53/h1-32H
InChIKeyYORURBZJLOTDIP-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 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole (CID 58511090) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cccc12.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
The InChIKey is YORURBZJLOTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-5-16-47-39(10-1)44-30-34(22-27-49(44)55(47)36-24-20-33(21-25-36)38-14-9-15-43-41-12-3-7-18-51(41)57-54(38)43)35-23-28-50-45(31-35)40-11-2-6-17-48(40)56(50)37-26-29-53-46(32-37)42-13-4-8-19-52(42)58-53/h1-32H.
What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole?
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole 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 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole is sourced from PubChem (CID 58511090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).