9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole

C48H29NS2 — CID 170278932

IUPAC9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c23)cc1
InChIInChI=1S/C48H29NS2/c1-3-11-30(12-4-1)32-21-24-40-37(27-32)38-28-33(31-13-5-2-6-14-31)22-25-41(38)49(40)42-17-10-20-46-48(42)39-29-34(23-26-44(39)51-46)35-16-9-19-45-47(35)36-15-7-8-18-43(36)50-45/h1-29H
InChIKeyJHQWIJYHYOULDR-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole

9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole (PubChem CID 170278932) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
PubChem CID170278932
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c23)cc1
InChIInChI=1S/C48H29NS2/c1-3-11-30(12-4-1)32-21-24-40-37(27-32)38-28-33(31-13-5-2-6-14-31)22-25-41(38)49(40)42-17-10-20-46-48(42)39-29-34(23-26-44(39)51-46)35-16-9-19-45-47(35)36-15-7-8-18-43(36)50-45/h1-29H
InChIKeyJHQWIJYHYOULDR-UHFFFAOYSA-N
XLogP14.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole (CID 170278932) is 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3sc4ccc(-c5cccc6sc7ccccc7c56)cc4c23)cc1.
What is the InChIKey of 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole?
The InChIKey is JHQWIJYHYOULDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-3-11-30(12-4-1)32-21-24-40-37(27-32)38-28-33(31-13-5-2-6-14-31)22-25-41(38)49(40)42-17-10-20-46-48(42)39-29-34(23-26-44(39)51-46)35-16-9-19-45-47(35)36-15-7-8-18-43(36)50-45/h1-29H.
What are the key properties of 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole?
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole has a molecular weight of 683.90 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 170278932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).