N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline

C52H33FN2S — CID 169073808

IUPACN-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1cccc2c3ccccc3n(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12
InChIInChI=1S/C52H33FN2S/c53-46-18-10-16-44-42-13-3-5-19-47(42)55(51(44)46)49-21-7-6-20-48(49)54(39-29-25-35(26-30-39)38-24-23-34-11-1-2-12-37(34)33-38)40-31-27-36(28-32-40)41-15-9-17-45-43-14-4-8-22-50(43)56-52(41)45/h1-33H
InChIKeyGKIMXVKFYSZPII-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.25
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline

N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 169073808) has the molecular formula C52H33FN2S and a molecular weight of 736.92 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID169073808
Molecular FormulaC52H33FN2S
Molecular Weight736.92 g/mol
Exact Mass736.23
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESFc1cccc2c3ccccc3n(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12
InChIInChI=1S/C52H33FN2S/c53-46-18-10-16-44-42-13-3-5-19-47(42)55(51(44)46)49-21-7-6-20-48(49)54(39-29-25-35(26-30-39)38-24-23-34-11-1-2-12-37(34)33-38)40-31-27-36(28-32-40)41-15-9-17-45-43-14-4-8-22-50(43)56-52(41)45/h1-33H
InChIKeyGKIMXVKFYSZPII-UHFFFAOYSA-N
XLogP15.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 160918264
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-3-amine
CID 167322523
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167322385
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(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]aniline
CID 174284317
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330444
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]aniline
CID 168781344

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 169073808) is N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is Fc1cccc2c3ccccc3n(-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c12.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is GKIMXVKFYSZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN2S/c53-46-18-10-16-44-42-13-3-5-19-47(42)55(51(44)46)49-21-7-6-20-48(49)54(39-29-25-35(26-30-39)38-24-23-34-11-1-2-12-37(34)33-38)40-31-27-36(28-32-40)41-15-9-17-45-43-14-4-8-22-50(43)56-52(41)45/h1-33H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline?
N-(4-dibenzothiophen-4-ylphenyl)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 736.92 g/mol, XLogP of 15.25, 6 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)-2-(1-fluorocarbazol-9-yl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 169073808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).