N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine

C33H22N2S — CID 168737841

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4sc5ncccc5c4c3)cc2)cc1
InChIInChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-12-15-27(16-13-25)35(28-17-14-24-9-4-5-10-26(24)21-28)29-18-19-32-31(22-29)30-11-6-20-34-33(30)36-32/h1-22H
InChIKeyYHMREPOEVYSAJE-UHFFFAOYSA-N
MW478.62 g/mol
LogP9.74
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine (PubChem CID 168737841) has the molecular formula C33H22N2S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
PubChem CID168737841
Molecular FormulaC33H22N2S
Molecular Weight478.62 g/mol
Exact Mass478.15
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4sc5ncccc5c4c3)cc2)cc1
InChIInChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-12-15-27(16-13-25)35(28-17-14-24-9-4-5-10-26(24)21-28)29-18-19-32-31(22-29)30-11-6-20-34-33(30)36-32/h1-22H
InChIKeyYHMREPOEVYSAJE-UHFFFAOYSA-N
XLogP9.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 166860696
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine
CID 168737775
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
3-N-(4-dibenzothiophen-2-ylphenyl)-3-N-naphthalen-2-yl-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604927
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine (CID 168737841) is N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4sc5ncccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The InChIKey is YHMREPOEVYSAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-12-15-27(16-13-25)35(28-17-14-24-9-4-5-10-26(24)21-28)29-18-19-32-31(22-29)30-11-6-20-34-33(30)36-32/h1-22H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine has a molecular weight of 478.62 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 168737841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).