3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole

C70H43NOS — CID 137466468

IUPAC3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cc(-c6ccccc6)c(-c6ccc7oc8ccc9ccccc9c8c7c6)c(-c6ccccc6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C70H43NOS/c1-4-15-44(16-5-1)48-22-14-23-54(37-48)71-63-32-27-49(50-31-36-68-61(40-50)56-25-12-13-26-67(56)73-68)38-59(63)60-39-51(28-33-64(60)71)53-42-57(45-17-6-2-7-18-45)69(58(43-53)46-19-8-3-9-20-46)52-30-34-65-62(41-52)70-55-24-11-10-21-47(55)29-35-66(70)72-65/h1-43H
InChIKeyRPLIHXUJLMANAR-UHFFFAOYSA-N
MW946.19 g/mol
LogP20.21
Rot. Bonds7

About 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole

3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole (PubChem CID 137466468) has the molecular formula C70H43NOS and a molecular weight of 946.19 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole
PubChem CID137466468
Molecular FormulaC70H43NOS
Molecular Weight946.19 g/mol
Exact Mass945.31
IUPAC Name3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cc(-c6ccccc6)c(-c6ccc7oc8ccc9ccccc9c8c7c6)c(-c6ccccc6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C70H43NOS/c1-4-15-44(16-5-1)48-22-14-23-54(37-48)71-63-32-27-49(50-31-36-68-61(40-50)56-25-12-13-26-67(56)73-68)38-59(63)60-39-51(28-33-64(60)71)53-42-57(45-17-6-2-7-18-45)69(58(43-53)46-19-8-3-9-20-46)52-30-34-65-62(41-52)70-55-24-11-10-21-47(55)29-35-66(70)72-65/h1-43H
InChIKeyRPLIHXUJLMANAR-UHFFFAOYSA-N
XLogP20.21
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.19
LogP ≤ 520.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 137466565
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909
3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole
CID 138474974
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 162190539
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole (CID 137466468) is 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5cc(-c6ccccc6)c(-c6ccc7oc8ccc9ccccc9c8c7c6)c(-c6ccccc6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole?
The InChIKey is RPLIHXUJLMANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43NOS/c1-4-15-44(16-5-1)48-22-14-23-54(37-48)71-63-32-27-49(50-31-36-68-61(40-50)56-25-12-13-26-67(56)73-68)38-59(63)60-39-51(28-33-64(60)71)53-42-57(45-17-6-2-7-18-45)69(58(43-53)46-19-8-3-9-20-46)52-30-34-65-62(41-52)70-55-24-11-10-21-47(55)29-35-66(70)72-65/h1-43H.
What are the key properties of 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole?
3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole has a molecular weight of 946.19 g/mol, XLogP of 20.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 137466468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).