9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole

C66H42N2S — CID 129265425

IUPAC9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc7c(c6)sc6ccccc67)ccc54)c3)c2)cc1
InChIInChI=1S/C66H42N2S/c1-4-15-43(16-5-1)47-27-32-63-59(39-47)60-41-49(29-34-64(60)68(63)54-30-31-57-56-24-11-13-26-65(56)69-66(57)42-54)48-28-33-62-58(40-48)55-23-10-12-25-61(55)67(62)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H
InChIKeyWZQSTSKOQFECHN-UHFFFAOYSA-N
MW895.14 g/mol
LogP18.58
Rot. Bonds7

About 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole

9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole (PubChem CID 129265425) has the molecular formula C66H42N2S and a molecular weight of 895.14 g/mol. Its IUPAC name is 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
PubChem CID129265425
Molecular FormulaC66H42N2S
Molecular Weight895.14 g/mol
Exact Mass894.31
IUPAC Name9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc7c(c6)sc6ccccc67)ccc54)c3)c2)cc1
InChIInChI=1S/C66H42N2S/c1-4-15-43(16-5-1)47-27-32-63-59(39-47)60-41-49(29-34-64(60)68(63)54-30-31-57-56-24-11-13-26-65(56)69-66(57)42-54)48-28-33-62-58(40-48)55-23-10-12-25-61(55)67(62)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H
InChIKeyWZQSTSKOQFECHN-UHFFFAOYSA-N
XLogP18.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.14
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(3-bromo-5-dibenzothiophen-2-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 122666262

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?
The IUPAC name of 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole (CID 129265425) is 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?
The canonical SMILES for 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc7c(c6)sc6ccccc67)ccc54)c3)c2)cc1.
What is the InChIKey of 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?
The InChIKey is WZQSTSKOQFECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S/c1-4-15-43(16-5-1)47-27-32-63-59(39-47)60-41-49(29-34-64(60)68(63)54-30-31-57-56-24-11-13-26-65(56)69-66(57)42-54)48-28-33-62-58(40-48)55-23-10-12-25-61(55)67(62)53-22-14-21-46(38-53)52-36-50(44-17-6-2-7-18-44)35-51(37-52)45-19-8-3-9-20-45/h1-42H.
What are the key properties of 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole has a molecular weight of 895.14 g/mol, XLogP of 18.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole is sourced from PubChem (CID 129265425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).