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

C54H36N2S — CID 144844352

IUPACN-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2S/c1-4-17-37(18-5-1)39-31-33-50(46(35-39)38-19-6-2-7-20-38)55(41-21-8-3-9-22-41)48-27-13-10-23-42(48)40-32-34-51-47(36-40)43-24-11-14-28-49(43)56(51)52-29-16-26-45-44-25-12-15-30-53(44)57-54(45)52/h1-36H
InChIKeySXODCHCFVZWPNI-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

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

N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline (PubChem CID 144844352) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline.

Molecular Properties

Compound NameN-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
PubChem CID144844352
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C54H36N2S/c1-4-17-37(18-5-1)39-31-33-50(46(35-39)38-19-6-2-7-20-38)55(41-21-8-3-9-22-41)48-27-13-10-23-42(48)40-32-34-51-47(36-40)43-24-11-14-28-49(43)56(51)52-29-16-26-45-44-25-12-15-30-53(44)57-54(45)52/h1-36H
InChIKeySXODCHCFVZWPNI-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-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086505
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-[3-(9-dibenzothiophen-1-ylcarbazol-2-yl)phenyl]phenyl]-N,2,4-triphenylaniline
CID 118505842
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
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
N-[2-[2-[5-[2-(4-dibenzothiophen-4-yl-N-(2,4-diphenylphenyl)anilino)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]-3-methylphenyl]-4-phenylphenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzothiophen-4-amine
CID 174283722
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline?
The IUPAC name of N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline (CID 144844352) is N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline.
What is the SMILES notation for N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline?
The canonical SMILES for N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline?
The InChIKey is SXODCHCFVZWPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-17-37(18-5-1)39-31-33-50(46(35-39)38-19-6-2-7-20-38)55(41-21-8-3-9-22-41)48-27-13-10-23-42(48)40-32-34-51-47(36-40)43-24-11-14-28-49(43)56(51)52-29-16-26-45-44-25-12-15-30-53(44)57-54(45)52/h1-36H.
What are the key properties of N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline?
N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline 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 N-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,2,4-triphenylaniline is sourced from PubChem (CID 144844352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).