3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole

C60H35FN2S2 — CID 71004837

IUPAC3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C60H35FN2S2/c61-52-29-28-40(63-54-23-6-2-15-44(54)51-34-38(27-31-56(51)63)42-19-11-21-48-46-17-4-8-25-58(46)65-60(42)48)35-49(52)36-12-9-13-39(32-36)62-53-22-5-1-14-43(53)50-33-37(26-30-55(50)62)41-18-10-20-47-45-16-3-7-24-57(45)64-59(41)47/h1-35H
InChIKeyAIEFEVIZDRHGIM-UHFFFAOYSA-N
MW867.09 g/mol
LogP17.76
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole

3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole (PubChem CID 71004837) has the molecular formula C60H35FN2S2 and a molecular weight of 867.09 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole
PubChem CID71004837
Molecular FormulaC60H35FN2S2
Molecular Weight867.09 g/mol
Exact Mass866.22
IUPAC Name3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C60H35FN2S2/c61-52-29-28-40(63-54-23-6-2-15-44(54)51-34-38(27-31-56(51)63)42-19-11-21-48-46-17-4-8-25-58(46)65-60(42)48)35-49(52)36-12-9-13-39(32-36)62-53-22-5-1-14-43(53)50-33-37(26-30-55(50)62)41-18-10-20-47-45-16-3-7-24-57(45)64-59(41)47/h1-35H
InChIKeyAIEFEVIZDRHGIM-UHFFFAOYSA-N
XLogP17.76
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.09
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole (CID 71004837) is 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole?
The InChIKey is AIEFEVIZDRHGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35FN2S2/c61-52-29-28-40(63-54-23-6-2-15-44(54)51-34-38(27-31-56(51)63)42-19-11-21-48-46-17-4-8-25-58(46)65-60(42)48)35-49(52)36-12-9-13-39(32-36)62-53-22-5-1-14-43(53)50-33-37(26-30-55(50)62)41-18-10-20-47-45-16-3-7-24-57(45)64-59(41)47/h1-35H.
What are the key properties of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole?
3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole has a molecular weight of 867.09 g/mol, XLogP of 17.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]phenyl]carbazole is sourced from PubChem (CID 71004837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).