N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine

C28H19NS — CID 168799176

IUPACN-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3ccc(Nc4cccc5sc6ccccc6c45)cc3c2)cc1
InChIInChI=1S/C28H19NS/c1-2-7-19(8-3-1)21-14-13-20-15-16-23(18-22(20)17-21)29-25-10-6-12-27-28(25)24-9-4-5-11-26(24)30-27/h1-18,29H
InChIKeyOTHMHZYUPKYAEH-UHFFFAOYSA-N
MW401.53 g/mol
LogP8.62
Rot. Bonds3

About N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine

N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine (PubChem CID 168799176) has the molecular formula C28H19NS and a molecular weight of 401.53 g/mol. Its IUPAC name is N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
PubChem CID168799176
Molecular FormulaC28H19NS
Molecular Weight401.53 g/mol
Exact Mass401.12
IUPAC NameN-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc3ccc(Nc4cccc5sc6ccccc6c45)cc3c2)cc1
InChIInChI=1S/C28H19NS/c1-2-7-19(8-3-1)21-14-13-20-15-16-23(18-22(20)17-21)29-25-10-6-12-27-28(25)24-9-4-5-11-26(24)30-27/h1-18,29H
InChIKeyOTHMHZYUPKYAEH-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

N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-1-amine
CID 177113902
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
N-phenyldibenzothiophen-1-amine
CID 126538366
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113837
N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
N-[3-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 175616007
N-(6-naphtho[2,1-b][1]benzothiol-6-ylnaphthalen-2-yl)-6-phenylnaphthalen-2-amine
CID 118616095
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
2-N-(4-naphthalen-2-ylphenyl)-2-N-phenyl-6-N-(4-phenyldibenzothiophen-3-yl)naphthalene-2,6-diamine
CID 146360664
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945

Frequently Asked Questions

What is the IUPAC name of N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine (CID 168799176) is N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine is c1ccc(-c2ccc3ccc(Nc4cccc5sc6ccccc6c45)cc3c2)cc1.
What is the InChIKey of N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine?
The InChIKey is OTHMHZYUPKYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NS/c1-2-7-19(8-3-1)21-14-13-20-15-16-23(18-22(20)17-21)29-25-10-6-12-27-28(25)24-9-4-5-11-26(24)30-27/h1-18,29H.
What are the key properties of N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine?
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-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-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 168799176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).