N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline

C54H36N2S2 — CID 156520872

IUPACN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)cc2)CCc2sc3ccccc3c21
InChIInChI=1S/C54H36N2S2/c1-2-12-38(13-3-1)55(39-27-22-35(23-28-39)37-26-31-53-47(32-37)44-16-6-10-20-51(44)57-53)40-29-24-36(25-30-40)46-33-41(34-48-45-17-7-11-21-52(45)58-54(46)48)56-49-18-8-4-14-42(49)43-15-5-9-19-50(43)56/h1-25,27-30,32-34H,26,31H2
InChIKeyQTYKLYJXKXXVJH-UHFFFAOYSA-N
MW777.03 g/mol
LogP15.99
Rot. Bonds6

About N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline (PubChem CID 156520872) has the molecular formula C54H36N2S2 and a molecular weight of 777.03 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline
PubChem CID156520872
Molecular FormulaC54H36N2S2
Molecular Weight777.03 g/mol
Exact Mass776.23
IUPAC NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)cc2)CCc2sc3ccccc3c21
InChIInChI=1S/C54H36N2S2/c1-2-12-38(13-3-1)55(39-27-22-35(23-28-39)37-26-31-53-47(32-37)44-16-6-10-20-51(44)57-53)40-29-24-36(25-30-40)46-33-41(34-48-45-17-7-11-21-52(45)58-54(46)48)56-49-18-8-4-14-42(49)43-15-5-9-19-50(43)56/h1-25,27-30,32-34H,26,31H2
InChIKeyQTYKLYJXKXXVJH-UHFFFAOYSA-N
XLogP15.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.03
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]naphthalen-2-amine
CID 156520484
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
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-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N,4-diphenyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 140919502
N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzothiophen-2-yl]phenyl]aniline
CID 140919485
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
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-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline (CID 156520872) is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline is C1=C(c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)cc2)CCc2sc3ccccc3c21.
What is the InChIKey of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline?
The InChIKey is QTYKLYJXKXXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S2/c1-2-12-38(13-3-1)55(39-27-22-35(23-28-39)37-26-31-53-47(32-37)44-16-6-10-20-51(44)57-53)40-29-24-36(25-30-40)46-33-41(34-48-45-17-7-11-21-52(45)58-54(46)48)56-49-18-8-4-14-42(49)43-15-5-9-19-50(43)56/h1-25,27-30,32-34H,26,31H2.
What are the key properties of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline?
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline has a molecular weight of 777.03 g/mol, XLogP of 15.99, 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-(3,4-dihydrodibenzothiophen-2-yl)-N-phenylaniline is sourced from PubChem (CID 156520872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).