N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine

C28H19NS — CID 169073524

IUPACN-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
SMILESc1cc(Nc2ccc3ccccc3c2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C28H19NS/c1-2-8-20-17-23(16-15-19(20)7-1)29-22-10-5-9-21(18-22)24-12-6-14-27-28(24)25-11-3-4-13-26(25)30-27/h1-18,29H
InChIKeyQWFKLARRDSRTDJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP8.62
Rot. Bonds3

About N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine

N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine (PubChem CID 169073524) has the molecular formula C28H19NS and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
PubChem CID169073524
Molecular FormulaC28H19NS
Molecular Weight401.53 g/mol
Exact Mass401.12
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
SMILESc1cc(Nc2ccc3ccccc3c2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C28H19NS/c1-2-8-20-17-23(16-15-19(20)7-1)29-22-10-5-9-21(18-22)24-12-6-14-27-28(24)25-11-3-4-13-26(25)30-27/h1-18,29H
InChIKeyQWFKLARRDSRTDJ-UHFFFAOYSA-N
XLogP8.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzothiophen-1-yl-N-phenylaniline
CID 134240778
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 146293944
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
1-(8-naphthalen-2-ylbenzo[c]phenanthren-5-yl)dibenzothiophene
CID 59282129
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine
CID 118616095
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine (CID 169073524) is N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine is c1cc(Nc2ccc3ccccc3c2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine?
The InChIKey is QWFKLARRDSRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NS/c1-2-8-20-17-23(16-15-19(20)7-1)29-22-10-5-9-21(18-22)24-12-6-14-27-28(24)25-11-3-4-13-26(25)30-27/h1-18,29H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine?
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine has a molecular weight of 401.53 g/mol, XLogP of 8.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 169073524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).