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

C53H36N2S — CID 121295312

IUPACN-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H36N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52/h1-36H
InChIKeyOPEPMMFTZOTUSI-UHFFFAOYSA-N
MW732.95 g/mol
LogP15.25
Rot. Bonds8

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

N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121295312) has the molecular formula C53H36N2S and a molecular weight of 732.95 g/mol. Its IUPAC name is N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121295312
Molecular FormulaC53H36N2S
Molecular Weight732.95 g/mol
Exact Mass732.26
IUPAC NameN-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H36N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52/h1-36H
InChIKeyOPEPMMFTZOTUSI-UHFFFAOYSA-N
XLogP15.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

6-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 177115898
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 121295292
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
N-[4-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295285
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383274
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 121295312) is N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6cccc7c6sc6cccnc67)c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is OPEPMMFTZOTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2S/c1-3-10-37(11-4-1)40-23-29-46(30-24-40)55(47-31-25-41(26-32-47)38-12-5-2-6-13-38)48-33-27-42(28-34-48)39-19-21-43(22-20-39)44-14-7-15-45(36-44)49-16-8-17-50-52-51(56-53(49)50)18-9-35-54-52/h1-36H.
What are the key properties of N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 732.95 g/mol, XLogP of 15.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-([1]benzothiolo[3,2-b]pyridin-6-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121295312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).