8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

C46H29F2NS — CID 171763358

IUPAC8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESFc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccc(F)cc45)c23)cc1
InChIInChI=1S/C46H29F2NS/c47-34-20-16-32(17-21-34)38-13-6-10-33-11-7-14-41(46(33)38)39-12-4-5-15-43(39)49(36-23-18-31(19-24-36)30-8-2-1-3-9-30)37-25-26-40-42-28-35(48)22-27-44(42)50-45(40)29-37/h1-29H
InChIKeyIWVMFEKECDSGCJ-UHFFFAOYSA-N
MW665.81 g/mol
LogP13.96
Rot. Bonds6

About 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine

8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 171763358) has the molecular formula C46H29F2NS and a molecular weight of 665.81 g/mol. Its IUPAC name is 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID171763358
Molecular FormulaC46H29F2NS
Molecular Weight665.81 g/mol
Exact Mass665.20
IUPAC Name8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESFc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccc(F)cc45)c23)cc1
InChIInChI=1S/C46H29F2NS/c47-34-20-16-32(17-21-34)38-13-6-10-33-11-7-14-41(46(33)38)39-12-4-5-15-43(39)49(36-23-18-31(19-24-36)30-8-2-1-3-9-30)37-25-26-40-42-28-35(48)22-27-44(42)50-45(40)29-37/h1-29H
InChIKeyIWVMFEKECDSGCJ-UHFFFAOYSA-N
XLogP13.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.81
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 168807435
N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 171763453
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326130
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-dibenzofuran-3-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 161336699
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168766637
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 166055539
7-N-dibenzothiophen-3-yl-7-N-[3-(N-naphthalen-2-ylanilino)phenyl]-2-N-phenyl-2-N-(2-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979897
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine (CID 171763358) is 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is Fc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccc(F)cc45)c23)cc1.
What is the InChIKey of 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is IWVMFEKECDSGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29F2NS/c47-34-20-16-32(17-21-34)38-13-6-10-33-11-7-14-41(46(33)38)39-12-4-5-15-43(39)49(36-23-18-31(19-24-36)30-8-2-1-3-9-30)37-25-26-40-42-28-35(48)22-27-44(42)50-45(40)29-37/h1-29H.
What are the key properties of 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine?
8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine has a molecular weight of 665.81 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 171763358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).