N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine

C33H22N2S — CID 166861610

IUPACN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccncc5c34)cc2)cc1
InChIInChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-13-16-27(17-14-25)35(28-18-15-24-9-4-5-10-26(24)21-28)30-11-6-12-32-33(30)29-22-34-20-19-31(29)36-32/h1-22H
InChIKeyXLWTZYOSUBSIPQ-UHFFFAOYSA-N
MW478.62 g/mol
LogP9.74
Rot. Bonds4

About N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine

N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine (PubChem CID 166861610) 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[3,2-c]pyridin-9-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
PubChem CID166861610
Molecular FormulaC33H22N2S
Molecular Weight478.62 g/mol
Exact Mass478.15
IUPAC NameN-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccncc5c34)cc2)cc1
InChIInChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-13-16-27(17-14-25)35(28-18-15-24-9-4-5-10-26(24)21-28)30-11-6-12-32-33(30)29-22-34-20-19-31(29)36-32/h1-22H
InChIKeyXLWTZYOSUBSIPQ-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-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 168737860
N-phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 163908714
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-chrysen-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170137727
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-9-amine
CID 166861708
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232
N-naphthalen-2-yl-N-[4-(2-phenylquinolin-3-yl)phenyl]dibenzothiophen-1-amine
CID 170652892

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The IUPAC name of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine (CID 166861610) is N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4sc5ccncc5c34)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The InChIKey is XLWTZYOSUBSIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2S/c1-2-7-23(8-3-1)25-13-16-27(17-14-25)35(28-18-15-24-9-4-5-10-26(24)21-28)30-11-6-12-32-33(30)29-22-34-20-19-31(29)36-32/h1-22H.
What are the key properties of N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-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[3,2-c]pyridin-9-amine is sourced from PubChem (CID 166861610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).