1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole

C48H29NS2 — CID 139496848

IUPAC1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccc(-c7ccc8sc9ccccc9c8c7)cc56)c43)cc2)cc1
InChIInChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-20-24-34(25-21-31)49-43-18-6-4-12-35(43)37-14-8-15-38(47(37)49)39-16-9-17-40-42-29-33(23-27-46(42)51-48(39)40)32-22-26-45-41(28-32)36-13-5-7-19-44(36)50-45/h1-29H
InChIKeyDCITZYRPVHTWEB-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole

1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 139496848) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
PubChem CID139496848
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccc(-c7ccc8sc9ccccc9c8c7)cc56)c43)cc2)cc1
InChIInChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-20-24-34(25-21-31)49-43-18-6-4-12-35(43)37-14-8-15-38(47(37)49)39-16-9-17-40-42-29-33(23-27-46(42)51-48(39)40)32-22-26-45-41(28-32)36-13-5-7-19-44(36)50-45/h1-29H
InChIKeyDCITZYRPVHTWEB-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

1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
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
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
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
10-phenyl-9-[2-(8-phenyldibenzothiophen-4-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164827847
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
CID 160961281
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011

Frequently Asked Questions

What is the IUPAC name of 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole (CID 139496848) is 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccc(-c7ccc8sc9ccccc9c8c7)cc56)c43)cc2)cc1.
What is the InChIKey of 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is DCITZYRPVHTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-20-24-34(25-21-31)49-43-18-6-4-12-35(43)37-14-8-15-38(47(37)49)39-16-9-17-40-42-29-33(23-27-46(42)51-48(39)40)32-22-26-45-41(28-32)36-13-5-7-19-44(36)50-45/h1-29H.
What are the key properties of 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole?
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)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 1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 139496848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).