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

C59H34N4OS2 — CID 168765865

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine
SMILESc1ccc2c(c1)oc1ccnc(-c3ccc(N(c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)cc3)c12
InChIInChI=1S/C59H34N4OS2/c1-4-10-52-49(9-1)56-53(64-52)29-30-60-57(56)35-17-21-42(22-18-35)63(43-23-19-36-31-40(15-13-38(36)33-43)50-27-25-47-45-7-2-5-11-54(45)65-58(47)61-50)44-24-20-37-32-41(16-14-39(37)34-44)51-28-26-48-46-8-3-6-12-55(46)66-59(48)62-51/h1-34H
InChIKeyQDYMTJIUZJDVRD-UHFFFAOYSA-N
MW879.08 g/mol
LogP17.28
Rot. Bonds6

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

N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine (PubChem CID 168765865) has the molecular formula C59H34N4OS2 and a molecular weight of 879.08 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine
PubChem CID168765865
Molecular FormulaC59H34N4OS2
Molecular Weight879.08 g/mol
Exact Mass878.22
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine
SMILESc1ccc2c(c1)oc1ccnc(-c3ccc(N(c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)cc3)c12
InChIInChI=1S/C59H34N4OS2/c1-4-10-52-49(9-1)56-53(64-52)29-30-60-57(56)35-17-21-42(22-18-35)63(43-23-19-36-31-40(15-13-38(36)33-43)50-27-25-47-45-7-2-5-11-54(45)65-58(47)61-50)44-24-20-37-32-41(16-14-39(37)34-44)51-28-26-48-46-8-3-6-12-55(46)66-59(48)62-51/h1-34H
InChIKeyQDYMTJIUZJDVRD-UHFFFAOYSA-N
XLogP17.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine with MolForge

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Related Compounds

N,N-bis[4-([1]benzothiolo[3,2-c]pyridin-1-yl)phenyl]-7-naphthalen-2-ylphenanthren-2-amine
CID 170404964
4-([1]benzothiolo[2,3-b]pyridin-2-yl)-N,N-bis(4-isoquinolin-3-ylphenyl)aniline
CID 168765745
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-[3-(3-carbazol-9-ylphenyl)phenyl]naphthalen-2-amine
CID 170177320
N-[4-([1]benzothiolo[3,2-c]pyridin-1-yl)phenyl]-4-phthalazin-6-yl-N-(4-phthalazin-6-ylphenyl)aniline
CID 168765357
N-[4-([1]benzothiolo[2,3-b]pyridin-2-yl)phenyl]-4-quinazolin-7-yl-N-(4-quinazolin-7-ylphenyl)aniline
CID 168765554
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-N-(4-phenylphenyl)chrysen-6-amine
CID 168737787
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
2-N,7-N-di(anthracen-2-yl)-2-N,7-N-di(dibenzofuran-3-yl)-[1]benzothiolo[2,3-b]pyridine-2,7-diamine
CID 164813406
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-1-amine
CID 166861443
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine (CID 168765865) is N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine is c1ccc2c(c1)oc1ccnc(-c3ccc(N(c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)c4ccc5cc(-c6ccc7c(n6)sc6ccccc67)ccc5c4)cc3)c12.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine?
The InChIKey is QDYMTJIUZJDVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS2/c1-4-10-52-49(9-1)56-53(64-52)29-30-60-57(56)35-17-21-42(22-18-35)63(43-23-19-36-31-40(15-13-38(36)33-43)50-27-25-47-45-7-2-5-11-54(45)65-58(47)61-50)44-24-20-37-32-41(16-14-39(37)34-44)51-28-26-48-46-8-3-6-12-55(46)66-59(48)62-51/h1-34H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine?
N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine has a molecular weight of 879.08 g/mol, XLogP of 17.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-1-yl)phenyl]-6-([1]benzothiolo[2,3-b]pyridin-2-yl)-N-[6-([1]benzothiolo[2,3-b]pyridin-2-yl)naphthalen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 168765865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).