4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline

C54H36N2S — CID 90131943

IUPAC4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-13-37(14-5-1)40-27-33-51-49(35-40)50-36-41(38-23-29-44(30-24-38)55(42-15-6-2-7-16-42)43-17-8-3-9-18-43)28-34-52(50)56(51)45-31-25-39(26-32-45)46-20-12-21-48-47-19-10-11-22-53(47)57-54(46)48/h1-36H
InChIKeyIEJJDMCQRKLUAK-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline

4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline (PubChem CID 90131943) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
PubChem CID90131943
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-13-37(14-5-1)40-27-33-51-49(35-40)50-36-41(38-23-29-44(30-24-38)55(42-15-6-2-7-16-42)43-17-8-3-9-18-43)28-34-52(50)56(51)45-31-25-39(26-32-45)46-20-12-21-48-47-19-10-11-22-53(47)57-54(46)48/h1-36H
InChIKeyIEJJDMCQRKLUAK-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
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
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline (CID 90131943) is 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is IEJJDMCQRKLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-13-37(14-5-1)40-27-33-51-49(35-40)50-36-41(38-23-29-44(30-24-38)55(42-15-6-2-7-16-42)43-17-8-3-9-18-43)28-34-52(50)56(51)45-31-25-39(26-32-45)46-20-12-21-48-47-19-10-11-22-53(47)57-54(46)48/h1-36H.
What are the key properties of 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline?
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 90131943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).