9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole

C54H35NS — CID 122492215

IUPAC9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cccc5c4sc4ccc(-c6ccccc6)cc45)c3)cc2)cc1
InChIInChI=1S/C54H35NS/c1-4-13-36(14-5-1)38-23-25-39(26-24-38)42-31-43(41-27-29-52-49(34-41)47-19-10-11-22-51(47)55(52)45-17-8-3-9-18-45)33-44(32-42)46-20-12-21-48-50-35-40(37-15-6-2-7-16-37)28-30-53(50)56-54(46)48/h1-35H
InChIKeyQOPZFPDLEBSEDO-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.49
Rot. Bonds6

About 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole

9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole (PubChem CID 122492215) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
PubChem CID122492215
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC Name9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cccc5c4sc4ccc(-c6ccccc6)cc45)c3)cc2)cc1
InChIInChI=1S/C54H35NS/c1-4-13-36(14-5-1)38-23-25-39(26-24-38)42-31-43(41-27-29-52-49(34-41)47-19-10-11-22-51(47)55(52)45-17-8-3-9-18-45)33-44(32-42)46-20-12-21-48-50-35-40(37-15-6-2-7-16-37)28-30-53(50)56-54(46)48/h1-35H
InChIKeyQOPZFPDLEBSEDO-UHFFFAOYSA-N
XLogP15.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
(Z)-but-2-ene;ethane;9-[3-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]phenyl]carbazole
CID 144644305
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole (CID 122492215) is 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cccc5c4sc4ccc(-c6ccccc6)cc45)c3)cc2)cc1.
What is the InChIKey of 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is QOPZFPDLEBSEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-4-13-36(14-5-1)38-23-25-39(26-24-38)42-31-43(41-27-29-52-49(34-41)47-19-10-11-22-51(47)55(52)45-17-8-3-9-18-45)33-44(32-42)46-20-12-21-48-50-35-40(37-15-6-2-7-16-37)28-30-53(50)56-54(46)48/h1-35H.
What are the key properties of 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole?
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 729.95 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 122492215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).