4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

C48H32N2S — CID 118086505

IUPAC4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-29-26-33(27-30-37)38-18-7-8-19-39(38)34-28-31-45-43(32-34)40-20-9-11-23-44(40)50(45)46-24-13-22-42-41-21-10-12-25-47(41)51-48(42)46/h1-32H
InChIKeyKUBALTWXTHDQBR-UHFFFAOYSA-N
MW668.87 g/mol
LogP13.96
Rot. Bonds6

About 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline

4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118086505) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
PubChem CID118086505
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2S/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-29-26-33(27-30-37)38-18-7-8-19-39(38)34-28-31-45-43(32-34)40-20-9-11-23-44(40)50(45)46-24-13-22-42-41-21-10-12-25-47(41)51-48(42)46/h1-32H
InChIKeyKUBALTWXTHDQBR-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
CID 144844352
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143
4-(9-naphthalen-1-ylcarbazol-3-yl)-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 122463023
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
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-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline (CID 118086505) is 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is KUBALTWXTHDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2S/c1-3-14-35(15-4-1)49(36-16-5-2-6-17-36)37-29-26-33(27-30-37)38-18-7-8-19-39(38)34-28-31-45-43(32-34)40-20-9-11-23-44(40)50(45)46-24-13-22-42-41-21-10-12-25-47(41)51-48(42)46/h1-32H.
What are the key properties of 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline?
4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 668.87 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118086505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).