3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

C66H41N3S — CID 58099686

IUPAC3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5sc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc6c5c4)ccc32)cc1
InChIInChI=1S/C66H41N3S/c1-4-17-46(18-5-1)67-59-28-13-10-23-50(59)55-37-42(31-34-62(55)67)45-40-54(44-33-36-64-57(39-44)52-25-12-15-30-61(52)69(64)48-21-8-3-9-22-48)66-58(41-45)53-27-16-26-49(65(53)70-66)43-32-35-63-56(38-43)51-24-11-14-29-60(51)68(63)47-19-6-2-7-20-47/h1-41H
InChIKeyJEZGWJOTHIBUCF-UHFFFAOYSA-N
MW908.14 g/mol
LogP18.35
Rot. Bonds6

About 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 58099686) has the molecular formula C66H41N3S and a molecular weight of 908.14 g/mol. Its IUPAC name is 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
PubChem CID58099686
Molecular FormulaC66H41N3S
Molecular Weight908.14 g/mol
Exact Mass907.30
IUPAC Name3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5sc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc6c5c4)ccc32)cc1
InChIInChI=1S/C66H41N3S/c1-4-17-46(18-5-1)67-59-28-13-10-23-50(59)55-37-42(31-34-62(55)67)45-40-54(44-33-36-64-57(39-44)52-25-12-15-30-61(52)69(64)48-21-8-3-9-22-48)66-58(41-45)53-27-16-26-49(65(53)70-66)43-32-35-63-56(38-43)51-24-11-14-29-60(51)68(63)47-19-6-2-7-20-47/h1-41H
InChIKeyJEZGWJOTHIBUCF-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

3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
9-phenyl-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 88572720
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (CID 58099686) is 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5sc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The InChIKey is JEZGWJOTHIBUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3S/c1-4-17-46(18-5-1)67-59-28-13-10-23-50(59)55-37-42(31-34-62(55)67)45-40-54(44-33-36-64-57(39-44)52-25-12-15-30-61(52)69(64)48-21-8-3-9-22-48)66-58(41-45)53-27-16-26-49(65(53)70-66)43-32-35-63-56(38-43)51-24-11-14-29-60(51)68(63)47-19-6-2-7-20-47/h1-41H.
What are the key properties of 3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole 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-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 58099686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).