9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole

C66H42N2S — CID 139319601

IUPAC9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc3n4-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C66H42N2S/c1-3-16-43(17-4-1)46-20-13-21-49(40-46)52-25-15-30-63-65(52)58-42-48(35-39-62(58)67(63)50-36-32-45(33-37-50)53-26-14-27-56-55-24-9-12-31-64(55)69-66(53)56)47-34-38-61-57(41-47)54-23-8-11-29-60(54)68(61)59-28-10-7-22-51(59)44-18-5-2-6-19-44/h1-42H
InChIKeyMVYMEGNDKAJJKX-UHFFFAOYSA-N
MW895.14 g/mol
LogP18.58
Rot. Bonds7

About 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole

9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 139319601) has the molecular formula C66H42N2S and a molecular weight of 895.14 g/mol. Its IUPAC name is 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID139319601
Molecular FormulaC66H42N2S
Molecular Weight895.14 g/mol
Exact Mass894.31
IUPAC Name9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc3n4-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C66H42N2S/c1-3-16-43(17-4-1)46-20-13-21-49(40-46)52-25-15-30-63-65(52)58-42-48(35-39-62(58)67(63)50-36-32-45(33-37-50)53-26-14-27-56-55-24-9-12-31-64(55)69-66(53)56)47-34-38-61-57(41-47)54-23-8-11-29-60(54)68(61)59-28-10-7-22-51(59)44-18-5-2-6-19-44/h1-42H
InChIKeyMVYMEGNDKAJJKX-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

5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
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
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
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
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
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
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole (CID 139319601) is 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5ccccc5)ccc3n4-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is MVYMEGNDKAJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2S/c1-3-16-43(17-4-1)46-20-13-21-49(40-46)52-25-15-30-63-65(52)58-42-48(35-39-62(58)67(63)50-36-32-45(33-37-50)53-26-14-27-56-55-24-9-12-31-64(55)69-66(53)56)47-34-38-61-57(41-47)54-23-8-11-29-60(54)68(61)59-28-10-7-22-51(59)44-18-5-2-6-19-44/h1-42H.
What are the key properties of 9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole?
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole 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-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 139319601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).