3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole

C66H41N3S — CID 88594595

IUPAC3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cccc23)cc1
InChIInChI=1S/C66H41N3S/c1-4-16-42(17-5-1)49-24-14-25-52-53-26-15-29-64(66(53)70-65(49)52)69-62-36-32-45(43-30-34-60-54(38-43)50-22-10-12-27-58(50)67(60)47-18-6-2-7-19-47)40-56(62)57-41-46(33-37-63(57)69)44-31-35-61-55(39-44)51-23-11-13-28-59(51)68(61)48-20-8-3-9-21-48/h1-41H
InChIKeyHOIZXEAGRUWFAV-UHFFFAOYSA-N
MW908.14 g/mol
LogP18.35
Rot. Bonds6

About 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole

3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole (PubChem CID 88594595) has the molecular formula C66H41N3S and a molecular weight of 908.14 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
PubChem CID88594595
Molecular FormulaC66H41N3S
Molecular Weight908.14 g/mol
Exact Mass907.30
IUPAC Name3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cccc23)cc1
InChIInChI=1S/C66H41N3S/c1-4-16-42(17-5-1)49-24-14-25-52-53-26-15-29-64(66(53)70-65(49)52)69-62-36-32-45(43-30-34-60-54(38-43)50-22-10-12-27-58(50)67(60)47-18-6-2-7-19-47)40-56(62)57-41-46(33-37-63(57)69)44-31-35-61-55(39-44)51-23-11-13-28-59(51)68(61)48-20-8-3-9-21-48/h1-41H
InChIKeyHOIZXEAGRUWFAV-UHFFFAOYSA-N
XLogP18.35
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.14
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
CID 118315607
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole (CID 88594595) is 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole is c1ccc(-c2cccc3c2sc2c(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cccc23)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole?
The InChIKey is HOIZXEAGRUWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3S/c1-4-16-42(17-5-1)49-24-14-25-52-53-26-15-29-64(66(53)70-65(49)52)69-62-36-32-45(43-30-34-60-54(38-43)50-22-10-12-27-58(50)67(60)47-18-6-2-7-19-47)40-56(62)57-41-46(33-37-63(57)69)44-31-35-61-55(39-44)51-23-11-13-28-59(51)68(61)48-20-8-3-9-21-48/h1-41H.
What are the key properties of 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole?
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole has a molecular weight of 908.14 g/mol, XLogP of 18.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 88594595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).