N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H35FN2S — CID 169073553

IUPACN-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1
InChIInChI=1S/C54H35FN2S/c55-41-27-32-52-50(35-41)47-17-4-6-21-51(47)57(52)45-16-9-14-40(34-45)39-13-8-15-44(33-39)56(42-28-23-37(24-29-42)36-11-2-1-3-12-36)43-30-25-38(26-31-43)46-19-10-20-49-48-18-5-7-22-53(48)58-54(46)49/h1-35H
InChIKeyPPMMIDYHINSWIT-UHFFFAOYSA-N
MW762.95 g/mol
LogP15.76
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 169073553) has the molecular formula C54H35FN2S and a molecular weight of 762.95 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID169073553
Molecular FormulaC54H35FN2S
Molecular Weight762.95 g/mol
Exact Mass762.25
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESFc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1
InChIInChI=1S/C54H35FN2S/c55-41-27-32-52-50(35-41)47-17-4-6-21-51(47)57(52)45-16-9-14-40(34-45)39-13-8-15-44(33-39)56(42-28-23-37(24-29-42)36-11-2-1-3-12-36)43-30-25-38(26-31-43)46-19-10-20-49-48-18-5-7-22-53(48)58-54(46)49/h1-35H
InChIKeyPPMMIDYHINSWIT-UHFFFAOYSA-N
XLogP15.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 169073570
4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 169073621
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
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
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
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
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 N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 169073553) is N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is Fc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is PPMMIDYHINSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35FN2S/c55-41-27-32-52-50(35-41)47-17-4-6-21-51(47)57(52)45-16-9-14-40(34-45)39-13-8-15-44(33-39)56(42-28-23-37(24-29-42)36-11-2-1-3-12-36)43-30-25-38(26-31-43)46-19-10-20-49-48-18-5-7-22-53(48)58-54(46)49/h1-35H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 762.95 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169073553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).