3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole

C60H36N2OS — CID 53491596

IUPAC3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)38-19-25-55-47(31-38)50-33-40(22-28-56(50)62(55)44-24-30-60-52(36-44)46-16-8-10-18-59(46)64-60)39-20-26-53-48(32-39)49-34-41(21-27-54(49)61(53)43-13-5-2-6-14-43)42-23-29-58-51(35-42)45-15-7-9-17-57(45)63-58/h1-36H
InChIKeyNPYHEBHNUCOEDO-UHFFFAOYSA-N
MW833.03 g/mol
LogP17.15
Rot. Bonds5

About 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole

3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 53491596) has the molecular formula C60H36N2OS and a molecular weight of 833.03 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID53491596
Molecular FormulaC60H36N2OS
Molecular Weight833.03 g/mol
Exact Mass832.25
IUPAC Name3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)38-19-25-55-47(31-38)50-33-40(22-28-56(50)62(55)44-24-30-60-52(36-44)46-16-8-10-18-59(46)64-60)39-20-26-53-48(32-39)49-34-41(21-27-54(49)61(53)43-13-5-2-6-14-43)42-23-29-58-51(35-42)45-15-7-9-17-57(45)63-58/h1-36H
InChIKeyNPYHEBHNUCOEDO-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-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole (CID 53491596) is 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7oc8ccccc8c7c6)ccc4n5-c4ccccc4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is NPYHEBHNUCOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2OS/c1-3-11-37(12-4-1)38-19-25-55-47(31-38)50-33-40(22-28-56(50)62(55)44-24-30-60-52(36-44)46-16-8-10-18-59(46)64-60)39-20-26-53-48(32-39)49-34-41(21-27-54(49)61(53)43-13-5-2-6-14-43)42-23-29-58-51(35-42)45-15-7-9-17-57(45)63-58/h1-36H.
What are the key properties of 3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole?
3-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole 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-dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 53491596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).