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

C60H36N2OS — CID 58511011

IUPAC3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7sc7ccccc78)cc6)ccc54)cc3)cccc12
InChIInChI=1S/C60H36N2OS/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36H
InChIKeyXFLVPALVEIPIIC-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.15
Rot. Bonds5

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

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole (PubChem CID 58511011) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
PubChem CID58511011
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7sc7ccccc78)cc6)ccc54)cc3)cccc12
InChIInChI=1S/C60H36N2OS/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36H
InChIKeyXFLVPALVEIPIIC-UHFFFAOYSA-N
XLogP17.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.03
LogP ≤ 517.15
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-(4-dibenzothiophen-4-ylphenyl)carbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole (CID 58511011) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7sc7ccccc78)cc6)ccc54)cc3)cccc12.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole?
The InChIKey is XFLVPALVEIPIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-5-19-53-45(11-1)51-35-39(27-33-55(51)61(53)41-29-23-37(24-30-41)43-15-9-17-49-47-13-3-7-21-57(47)63-59(43)49)40-28-34-56-52(36-40)46-12-2-6-20-54(46)62(56)42-31-25-38(26-32-42)44-16-10-18-50-48-14-4-8-22-58(48)64-60(44)50/h1-36H.
What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole?
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole has a molecular weight of 833.03 g/mol, XLogP of 17.15, 5 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-(4-dibenzothiophen-4-ylphenyl)carbazole is sourced from PubChem (CID 58511011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).