3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole

C60H34N2S3 — CID 71232585

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5c4c3)cc12
InChIInChI=1S/C60H34N2S3/c1-5-13-51-41(9-1)45-29-35(17-23-53(45)61(51)39-21-27-59-49(33-39)44-12-4-8-16-56(44)64-59)36-18-24-54-46(30-36)42-10-2-6-14-52(42)62(54)40-22-28-60-50(34-40)48-32-38(20-26-58(48)65-60)37-19-25-57-47(31-37)43-11-3-7-15-55(43)63-57/h1-34H
InChIKeyCYZHIVWIQCVKCB-UHFFFAOYSA-N
MW879.15 g/mol
LogP18.32
Rot. Bonds4

About 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole (PubChem CID 71232585) has the molecular formula C60H34N2S3 and a molecular weight of 879.15 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
PubChem CID71232585
Molecular FormulaC60H34N2S3
Molecular Weight879.15 g/mol
Exact Mass878.19
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5c4c3)cc12
InChIInChI=1S/C60H34N2S3/c1-5-13-51-41(9-1)45-29-35(17-23-53(45)61(51)39-21-27-59-49(33-39)44-12-4-8-16-56(44)64-59)36-18-24-54-46(30-36)42-10-2-6-14-52(42)62(54)40-22-28-60-50(34-40)48-32-38(20-26-58(48)65-60)37-19-25-57-47(31-37)43-11-3-7-15-55(43)63-57/h1-34H
InChIKeyCYZHIVWIQCVKCB-UHFFFAOYSA-N
XLogP18.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.15
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole (CID 71232585) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole is c1ccc2c(c1)sc1ccc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9sc%10ccccc%10c9c8)ccc76)cc5c4c3)cc12.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
The InChIKey is CYZHIVWIQCVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2S3/c1-5-13-51-41(9-1)45-29-35(17-23-53(45)61(51)39-21-27-59-49(33-39)44-12-4-8-16-56(44)64-59)36-18-24-54-46(30-36)42-10-2-6-14-52(42)62(54)40-22-28-60-50(34-40)48-32-38(20-26-58(48)65-60)37-19-25-57-47(31-37)43-11-3-7-15-55(43)63-57/h1-34H.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole has a molecular weight of 879.15 g/mol, XLogP of 18.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole is sourced from PubChem (CID 71232585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).