3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole

C48H29NS2 — CID 121449396

IUPAC3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C48H29NS2/c1-4-16-43-37(9-1)42-29-33(30-19-21-31(22-20-30)35-12-7-14-40-38-10-2-5-17-45(38)50-47(35)40)25-28-44(42)49(43)34-26-23-32(24-27-34)36-13-8-15-41-39-11-3-6-18-46(39)51-48(36)41/h1-29H
InChIKeyYPXIWDLULTVJSA-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole

3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole (PubChem CID 121449396) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
PubChem CID121449396
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C48H29NS2/c1-4-16-43-37(9-1)42-29-33(30-19-21-31(22-20-30)35-12-7-14-40-38-10-2-5-17-45(38)50-47(35)40)25-28-44(42)49(43)34-26-23-32(24-27-34)36-13-8-15-41-39-11-3-6-18-46(39)51-48(36)41/h1-29H
InChIKeyYPXIWDLULTVJSA-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

3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole?
The IUPAC name of 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole (CID 121449396) is 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole.
What is the SMILES notation for 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole?
The canonical SMILES for 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole is c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole?
The InChIKey is YPXIWDLULTVJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-4-16-43-37(9-1)42-29-33(30-19-21-31(22-20-30)35-12-7-14-40-38-10-2-5-17-45(38)50-47(35)40)25-28-44(42)49(43)34-26-23-32(24-27-34)36-13-8-15-41-39-11-3-6-18-46(39)51-48(36)41/h1-29H.
What are the key properties of 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole?
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole 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 3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole is sourced from PubChem (CID 121449396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).