9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole

C30H14F5NS — CID 135131320

IUPAC9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole
SMILESFc1c(F)c(F)c(-c2ccc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)c(F)c1F
InChIInChI=1S/C30H14F5NS/c31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-23-19(14-15)18-8-5-11-22(30(18)37-23)36-20-9-3-1-6-16(20)17-7-2-4-10-21(17)36/h1-14H
InChIKeyAQUUUKSZCUJDPE-UHFFFAOYSA-N
MW515.51 g/mol
LogP9.51
Rot. Bonds2

About 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole

9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 135131320) has the molecular formula C30H14F5NS and a molecular weight of 515.51 g/mol. Its IUPAC name is 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole
PubChem CID135131320
Molecular FormulaC30H14F5NS
Molecular Weight515.51 g/mol
Exact Mass515.08
IUPAC Name9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole
SMILESFc1c(F)c(F)c(-c2ccc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)c(F)c1F
InChIInChI=1S/C30H14F5NS/c31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-23-19(14-15)18-8-5-11-22(30(18)37-23)36-20-9-3-1-6-16(20)17-7-2-4-10-21(17)36/h1-14H
InChIKeyAQUUUKSZCUJDPE-UHFFFAOYSA-N
XLogP9.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.51
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
5-(8-triphenylen-2-yldibenzothiophen-4-yl)phenanthridin-6-one
CID 146311331
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole (CID 135131320) is 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole is Fc1c(F)c(F)c(-c2ccc3sc4c(-n5c6ccccc6c6ccccc65)cccc4c3c2)c(F)c1F.
What is the InChIKey of 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is AQUUUKSZCUJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14F5NS/c31-25-24(26(32)28(34)29(35)27(25)33)15-12-13-23-19(14-15)18-8-5-11-22(30(18)37-23)36-20-9-3-1-6-16(20)17-7-2-4-10-21(17)36/h1-14H.
What are the key properties of 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole?
9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole has a molecular weight of 515.51 g/mol, XLogP of 9.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2,3,4,5,6-pentafluorophenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 135131320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).