2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline

C28H19NS — CID 164934523

IUPAC2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline
SMILESc1ccc(Nc2ccccc2-c2cccc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C28H19NS/c1-2-10-20(11-3-1)29-26-16-7-6-13-22(26)23-14-8-15-24-25-18-17-19-9-4-5-12-21(19)27(25)30-28(23)24/h1-18,29H
InChIKeyWRKOMVXRPWLMBJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP8.62
Rot. Bonds3

About 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline

2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline (PubChem CID 164934523) has the molecular formula C28H19NS and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline
PubChem CID164934523
Molecular FormulaC28H19NS
Molecular Weight401.53 g/mol
Exact Mass401.12
IUPAC Name2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline
SMILESc1ccc(Nc2ccccc2-c2cccc3c2sc2c4ccccc4ccc32)cc1
InChIInChI=1S/C28H19NS/c1-2-10-20(11-3-1)29-26-16-7-6-13-22(26)23-14-8-15-24-25-18-17-19-9-4-5-12-21(19)27(25)30-28(23)24/h1-18,29H
InChIKeyWRKOMVXRPWLMBJ-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

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-4-amine
CID 170289309
phenol;N-phenylnaphthalen-1-amine
CID 159146578
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168766680
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122049
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343304
10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118616636
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 177121667
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline?
The IUPAC name of 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline (CID 164934523) is 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline?
The canonical SMILES for 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline is c1ccc(Nc2ccccc2-c2cccc3c2sc2c4ccccc4ccc32)cc1.
What is the InChIKey of 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline?
The InChIKey is WRKOMVXRPWLMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NS/c1-2-10-20(11-3-1)29-26-16-7-6-13-22(26)23-14-8-15-24-25-18-17-19-9-4-5-12-21(19)27(25)30-28(23)24/h1-18,29H.
What are the key properties of 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline?
2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline 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 2-naphtho[1,2-b][1]benzothiol-10-yl-N-phenylaniline is sourced from PubChem (CID 164934523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).