1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

C61H35NS2 — CID 154970843

IUPAC1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4c(-c5cccc6c5sc5ccccc56)cccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)cc21
InChIInChI=1S/C61H35NS2/c1-6-28-51-37(15-1)38-16-2-7-29-52(38)61(51)53-30-8-3-17-39(53)40-34-33-36(35-54(40)61)62-57-43(20-11-22-45(57)49-26-13-24-47-41-18-4-9-31-55(41)63-59(47)49)44-21-12-23-46(58(44)62)50-27-14-25-48-42-19-5-10-32-56(42)64-60(48)50/h1-35H
InChIKeyGPIPIOPGXJNRQU-UHFFFAOYSA-N
MW846.09 g/mol
LogP17.20
Rot. Bonds3

About 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole

1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 154970843) has the molecular formula C61H35NS2 and a molecular weight of 846.09 g/mol. Its IUPAC name is 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID154970843
Molecular FormulaC61H35NS2
Molecular Weight846.09 g/mol
Exact Mass845.22
IUPAC Name1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4c(-c5cccc6c5sc5ccccc56)cccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)cc21
InChIInChI=1S/C61H35NS2/c1-6-28-51-37(15-1)38-16-2-7-29-52(38)61(51)53-30-8-3-17-39(53)40-34-33-36(35-54(40)61)62-57-43(20-11-22-45(57)49-26-13-24-47-41-18-4-9-31-55(41)63-59(47)49)44-21-12-23-46(58(44)62)50-27-14-25-48-42-19-5-10-32-56(42)64-60(48)50/h1-35H
InChIKeyGPIPIOPGXJNRQU-UHFFFAOYSA-N
XLogP17.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzothiophene
CID 87688456
spiro[fluorene-9,12'-fluoreno[1,2-b][1]benzothiole]
CID 122627254
2-dibenzothiophen-4-yl-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587632
5-phenyl-11-[6-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[a]carbazole
CID 170412609
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
4-dibenzothiophen-4-yl-6-phenyl-2-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 130452664
2'-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)pyrimidin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146669947
21-(9,9'-spirobi[fluorene]-2-yl)-9,18-dithia-14,16,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138639353

Frequently Asked Questions

What is the IUPAC name of 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 154970843) is 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-n3c4c(-c5cccc6c5sc5ccccc56)cccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)cc21.
What is the InChIKey of 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is GPIPIOPGXJNRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35NS2/c1-6-28-51-37(15-1)38-16-2-7-29-52(38)61(51)53-30-8-3-17-39(53)40-34-33-36(35-54(40)61)62-57-43(20-11-22-45(57)49-26-13-24-47-41-18-4-9-31-55(41)63-59(47)49)44-21-12-23-46(58(44)62)50-27-14-25-48-42-19-5-10-32-56(42)64-60(48)50/h1-35H.
What are the key properties of 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole?
1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 846.09 g/mol, XLogP of 17.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(dibenzothiophen-4-yl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 154970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).