N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

C54H34F2N2S — CID 169073570

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESFc1cc(F)c2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H34F2N2S/c55-40-33-49-46-14-4-6-18-51(46)58(53(49)50(56)34-40)44-13-8-12-39(32-44)37-22-28-42(29-23-37)57(41-26-20-36(21-27-41)35-10-2-1-3-11-35)43-30-24-38(25-31-43)45-16-9-17-48-47-15-5-7-19-52(47)59-54(45)48/h1-34H
InChIKeyPSAKCIYYKGGFTE-UHFFFAOYSA-N
MW780.94 g/mol
LogP15.90
Rot. Bonds7

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 169073570) has the molecular formula C54H34F2N2S and a molecular weight of 780.94 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID169073570
Molecular FormulaC54H34F2N2S
Molecular Weight780.94 g/mol
Exact Mass780.24
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESFc1cc(F)c2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c1
InChIInChI=1S/C54H34F2N2S/c55-40-33-49-46-14-4-6-18-51(46)58(53(49)50(56)34-40)44-13-8-12-39(32-44)37-22-28-42(29-23-37)57(41-26-20-36(21-27-41)35-10-2-1-3-11-35)43-30-24-38(25-31-43)45-16-9-17-48-47-15-5-7-19-52(47)59-54(45)48/h1-34H
InChIKeyPSAKCIYYKGGFTE-UHFFFAOYSA-N
XLogP15.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.94
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3,6-difluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073755
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
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
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170666353
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,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
CID 129178975
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 165005699

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline (CID 169073570) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is Fc1cc(F)c2c(c1)c1ccccc1n2-c1cccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is PSAKCIYYKGGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F2N2S/c55-40-33-49-46-14-4-6-18-51(46)58(53(49)50(56)34-40)44-13-8-12-39(32-44)37-22-28-42(29-23-37)57(41-26-20-36(21-27-41)35-10-2-1-3-11-35)43-30-24-38(25-31-43)45-16-9-17-48-47-15-5-7-19-52(47)59-54(45)48/h1-34H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 780.94 g/mol, XLogP of 15.90, 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)-N-[4-[3-(1,3-difluorocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 169073570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).