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

C60H34F2N2S2 — CID 71004833

IUPAC3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)ccc1F
InChIInChI=1S/C60H34F2N2S2/c61-51-27-25-37(63-53-19-5-1-11-41(53)49-31-35(23-29-55(49)63)39-15-9-17-45-43-13-3-7-21-57(43)65-59(39)45)33-47(51)48-34-38(26-28-52(48)62)64-54-20-6-2-12-42(54)50-32-36(24-30-56(50)64)40-16-10-18-46-44-14-4-8-22-58(44)66-60(40)46/h1-34H
InChIKeyIWHPBYJEOFESAI-UHFFFAOYSA-N
MW885.08 g/mol
LogP17.90
Rot. Bonds5

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

3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole (PubChem CID 71004833) has the molecular formula C60H34F2N2S2 and a molecular weight of 885.08 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
PubChem CID71004833
Molecular FormulaC60H34F2N2S2
Molecular Weight885.08 g/mol
Exact Mass884.21
IUPAC Name3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)ccc1F
InChIInChI=1S/C60H34F2N2S2/c61-51-27-25-37(63-53-19-5-1-11-41(53)49-31-35(23-29-55(49)63)39-15-9-17-45-43-13-3-7-21-57(43)65-59(39)45)33-47(51)48-34-38(26-28-52(48)62)64-54-20-6-2-12-42(54)50-32-36(24-30-56(50)64)40-16-10-18-46-44-14-4-8-22-58(44)66-60(40)46/h1-34H
InChIKeyIWHPBYJEOFESAI-UHFFFAOYSA-N
XLogP17.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole (CID 71004833) is 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)ccc1F.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole?
The InChIKey is IWHPBYJEOFESAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34F2N2S2/c61-51-27-25-37(63-53-19-5-1-11-41(53)49-31-35(23-29-55(49)63)39-15-9-17-45-43-13-3-7-21-57(43)65-59(39)45)33-47(51)48-34-38(26-28-52(48)62)64-54-20-6-2-12-42(54)50-32-36(24-30-56(50)64)40-16-10-18-46-44-14-4-8-22-58(44)66-60(40)46/h1-34H.
What are the key properties of 3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole?
3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole has a molecular weight of 885.08 g/mol, XLogP of 17.90, 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]-4-fluorophenyl]carbazole is sourced from PubChem (CID 71004833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).