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

C50H32FNS — CID 171763453

IUPACN-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESFc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6cccc(-c7ccccc7)c6c5)cc4)c23)cc1
InChIInChI=1S/C50H32FNS/c51-38-24-19-35(20-25-38)43-16-7-12-37-13-8-17-44(50(37)43)36-21-26-39(27-22-36)52(41-29-30-46-45-14-4-5-18-48(45)53-49(46)32-41)40-28-23-34-11-6-15-42(47(34)31-40)33-9-2-1-3-10-33/h1-32H
InChIKeyOBHGUFBZAMORBZ-UHFFFAOYSA-N
MW697.88 g/mol
LogP14.97
Rot. Bonds6

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

N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 171763453) has the molecular formula C50H32FNS and a molecular weight of 697.88 g/mol. Its IUPAC name is N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID171763453
Molecular FormulaC50H32FNS
Molecular Weight697.88 g/mol
Exact Mass697.22
IUPAC NameN-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESFc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6cccc(-c7ccccc7)c6c5)cc4)c23)cc1
InChIInChI=1S/C50H32FNS/c51-38-24-19-35(20-25-38)43-16-7-12-37-13-8-17-44(50(37)43)36-21-26-39(27-22-36)52(41-29-30-46-45-14-4-5-18-48(45)53-49(46)32-41)40-28-23-34-11-6-15-42(47(34)31-40)33-9-2-1-3-10-33/h1-32H
InChIKeyOBHGUFBZAMORBZ-UHFFFAOYSA-N
XLogP14.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 166589707
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-2-amine
CID 167184166
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
8-fluoro-N-[2-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 171763358
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039130
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-phenylaniline
CID 167184371

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 171763453) is N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is Fc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6cccc(-c7ccccc7)c6c5)cc4)c23)cc1.
What is the InChIKey of N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is OBHGUFBZAMORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32FNS/c51-38-24-19-35(20-25-38)43-16-7-12-37-13-8-17-44(50(37)43)36-21-26-39(27-22-36)52(41-29-30-46-45-14-4-5-18-48(45)53-49(46)32-41)40-28-23-34-11-6-15-42(47(34)31-40)33-9-2-1-3-10-33/h1-32H.
What are the key properties of N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine has a molecular weight of 697.88 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 171763453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).