N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine

C39H26N2S — CID 168737775

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ncccc34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-2-8-27(9-3-1)28-15-19-31(20-16-28)41(33-23-24-36-37-14-7-25-40-39(37)42-38(36)26-33)32-21-17-30(18-22-32)35-13-6-11-29-10-4-5-12-34(29)35/h1-26H
InChIKeyYIBXJGMCCHRMAJ-UHFFFAOYSA-N
MW554.72 g/mol
LogP11.41
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine (PubChem CID 168737775) has the molecular formula C39H26N2S and a molecular weight of 554.72 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine
PubChem CID168737775
Molecular FormulaC39H26N2S
Molecular Weight554.72 g/mol
Exact Mass554.18
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ncccc34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-2-8-27(9-3-1)28-15-19-31(20-16-28)41(33-23-24-36-37-14-7-25-40-39(37)42-38(36)26-33)32-21-17-30(18-22-32)35-13-6-11-29-10-4-5-12-34(29)35/h1-26H
InChIKeyYIBXJGMCCHRMAJ-UHFFFAOYSA-N
XLogP11.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-8-amine
CID 168737988
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-[4-([1]benzothiolo[2,3-b]pyridin-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 166861208
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 166860696
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 168737841
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 170272717
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 163411900
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine (CID 168737775) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)sc3ncccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine?
The InChIKey is YIBXJGMCCHRMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2S/c1-2-8-27(9-3-1)28-15-19-31(20-16-28)41(33-23-24-36-37-14-7-25-40-39(37)42-38(36)26-33)32-21-17-30(18-22-32)35-13-6-11-29-10-4-5-12-34(29)35/h1-26H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine has a molecular weight of 554.72 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine is sourced from PubChem (CID 168737775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).