N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline

C54H34N2S2 — CID 156520886

IUPACN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H34N2S2/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)41-19-12-24-52-53(41)45-18-7-11-23-51(45)57-52)39-31-27-36(28-32-39)46-33-40(34-47-44-17-6-10-22-50(44)58-54(46)47)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56/h1-34H
InChIKeyXHXCSRSFXSCQCH-UHFFFAOYSA-N
MW775.01 g/mol
LogP16.32
Rot. Bonds6

About N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline (PubChem CID 156520886) has the molecular formula C54H34N2S2 and a molecular weight of 775.01 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
PubChem CID156520886
Molecular FormulaC54H34N2S2
Molecular Weight775.01 g/mol
Exact Mass774.22
IUPAC NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H34N2S2/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)41-19-12-24-52-53(41)45-18-7-11-23-51(45)57-52)39-31-27-36(28-32-39)46-33-40(34-47-44-17-6-10-22-50(44)58-54(46)47)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56/h1-34H
InChIKeyXHXCSRSFXSCQCH-UHFFFAOYSA-N
XLogP16.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline
CID 156520872
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 155396548
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline (CID 156520886) is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline?
The InChIKey is XHXCSRSFXSCQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S2/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)41-19-12-24-52-53(41)45-18-7-11-23-51(45)57-52)39-31-27-36(28-32-39)46-33-40(34-47-44-17-6-10-22-50(44)58-54(46)47)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56/h1-34H.
What are the key properties of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline?
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline has a molecular weight of 775.01 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline is sourced from PubChem (CID 156520886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).