N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

C42H28FNS — CID 121391322

IUPACN-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C42H28FNS/c43-39-27-33(30-14-6-2-7-15-30)26-38(32-16-8-3-9-17-32)42(39)44(34-22-20-31(21-23-34)29-12-4-1-5-13-29)35-24-25-37-36-18-10-11-19-40(36)45-41(37)28-35/h1-28H
InChIKeyNGZODTIFNMHTSS-UHFFFAOYSA-N
MW597.76 g/mol
LogP12.66
Rot. Bonds6

About N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine

N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 121391322) has the molecular formula C42H28FNS and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID121391322
Molecular FormulaC42H28FNS
Molecular Weight597.76 g/mol
Exact Mass597.19
IUPAC NameN-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C42H28FNS/c43-39-27-33(30-14-6-2-7-15-30)26-38(32-16-8-3-9-17-32)42(39)44(34-22-20-31(21-23-34)29-12-4-1-5-13-29)35-24-25-37-36-18-10-11-19-40(36)45-41(37)28-35/h1-28H
InChIKeyNGZODTIFNMHTSS-UHFFFAOYSA-N
XLogP12.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzothiophen-2-amine
CID 158825064
N-(4-iodophenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 142715334
N-[4-(2-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159692895
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 135277463
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 177128411

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 121391322) is N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is NGZODTIFNMHTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FNS/c43-39-27-33(30-14-6-2-7-15-30)26-38(32-16-8-3-9-17-32)42(39)44(34-22-20-31(21-23-34)29-12-4-1-5-13-29)35-24-25-37-36-18-10-11-19-40(36)45-41(37)28-35/h1-28H.
What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine?
N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 597.76 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,6-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 121391322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).