3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole

C60H37NS2 — CID 66799481

IUPAC3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6[nH]c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7c6c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C60H37NS2/c1-5-13-37(14-6-1)41-23-27-57-51(29-41)53-35-45(39-17-9-3-10-18-39)33-47(59(53)62-57)43-21-25-55-49(31-43)50-32-44(22-26-56(50)61-55)48-34-46(40-19-11-4-12-20-40)36-54-52-30-42(38-15-7-2-8-16-38)24-28-58(52)63-60(48)54/h1-36,61H
InChIKeyYOFGDGQPTRSFNH-UHFFFAOYSA-N
MW836.10 g/mol
LogP18.06
Rot. Bonds6

About 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole

3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole (PubChem CID 66799481) has the molecular formula C60H37NS2 and a molecular weight of 836.10 g/mol. Its IUPAC name is 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
PubChem CID66799481
Molecular FormulaC60H37NS2
Molecular Weight836.10 g/mol
Exact Mass835.24
IUPAC Name3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6[nH]c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7c6c5)cc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C60H37NS2/c1-5-13-37(14-6-1)41-23-27-57-51(29-41)53-35-45(39-17-9-3-10-18-39)33-47(59(53)62-57)43-21-25-55-49(31-43)50-32-44(22-26-56(50)61-55)48-34-46(40-19-11-4-12-20-40)36-54-52-30-42(38-15-7-2-8-16-38)24-28-58(52)63-60(48)54/h1-36,61H
InChIKeyYOFGDGQPTRSFNH-UHFFFAOYSA-N
XLogP18.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.10
LogP ≤ 518.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 141356979
3,6-bis(2,8-dinaphthalen-1-yldibenzothiophen-4-yl)-9H-carbazole
CID 87157791
6,11-bis[3-(2,8-diphenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417069
2-[4-[2,8-bis(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332064
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
2-[4-[2,8-bis(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332069
3-[2,8-bis(4-methylphenyl)dibenzothiophen-4-yl]-6-[2-(4-methylcyclohexa-1,5-dien-1-yl)-8-(4-methylphenyl)dibenzothiophen-4-yl]-9H-carbazole
CID 123449890
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 71234830
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156288
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole?
The IUPAC name of 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole (CID 66799481) is 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole?
The canonical SMILES for 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole is c1ccc(-c2ccc3sc4c(-c5ccc6[nH]c7ccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)cc7c6c5)cc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole?
The InChIKey is YOFGDGQPTRSFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NS2/c1-5-13-37(14-6-1)41-23-27-57-51(29-41)53-35-45(39-17-9-3-10-18-39)33-47(59(53)62-57)43-21-25-55-49(31-43)50-32-44(22-26-56(50)61-55)48-34-46(40-19-11-4-12-20-40)36-54-52-30-42(38-15-7-2-8-16-38)24-28-58(52)63-60(48)54/h1-36,61H.
What are the key properties of 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole?
3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole has a molecular weight of 836.10 g/mol, XLogP of 18.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole is sourced from PubChem (CID 66799481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).