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

C60H36N2S2 — CID 71232573

IUPAC9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2S2/c1-3-11-37(12-4-1)39-19-25-53-47(31-39)49-33-41(21-27-55(49)61(53)43-23-29-59-51(35-43)45-15-7-9-17-57(45)63-59)42-22-28-56-50(34-42)48-32-40(38-13-5-2-6-14-38)20-26-54(48)62(56)44-24-30-60-52(36-44)46-16-8-10-18-58(46)64-60/h1-36H
InChIKeyRHNVKGSCXAYKKF-UHFFFAOYSA-N
MW849.10 g/mol
LogP17.62
Rot. Bonds5

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

9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole (PubChem CID 71232573) has the molecular formula C60H36N2S2 and a molecular weight of 849.10 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole
PubChem CID71232573
Molecular FormulaC60H36N2S2
Molecular Weight849.10 g/mol
Exact Mass848.23
IUPAC Name9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N2S2/c1-3-11-37(12-4-1)39-19-25-53-47(31-39)49-33-41(21-27-55(49)61(53)43-23-29-59-51(35-43)45-15-7-9-17-57(45)63-59)42-22-28-56-50(34-42)48-32-40(38-13-5-2-6-14-38)20-26-54(48)62(56)44-24-30-60-52(36-44)46-16-8-10-18-58(46)64-60/h1-36H
InChIKeyRHNVKGSCXAYKKF-UHFFFAOYSA-N
XLogP17.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.10
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole (CID 71232573) is 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole?
The InChIKey is RHNVKGSCXAYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S2/c1-3-11-37(12-4-1)39-19-25-53-47(31-39)49-33-41(21-27-55(49)61(53)43-23-29-59-51(35-43)45-15-7-9-17-57(45)63-59)42-22-28-56-50(34-42)48-32-40(38-13-5-2-6-14-38)20-26-54(48)62(56)44-24-30-60-52(36-44)46-16-8-10-18-58(46)64-60/h1-36H.
What are the key properties of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole?
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole has a molecular weight of 849.10 g/mol, XLogP of 17.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazole is sourced from PubChem (CID 71232573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).