N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C47H32N2S — CID 121295306

IUPACN-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccncc56)c4)cc3)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-3-8-33(9-4-1)35-14-21-41(22-15-35)49(42-23-16-36(17-24-42)34-10-5-2-6-11-34)43-25-18-37(19-26-43)38-12-7-13-39(30-38)40-20-27-44-45-32-48-29-28-46(45)50-47(44)31-40/h1-32H
InChIKeyBIHQXASYOHBRFM-UHFFFAOYSA-N
MW656.85 g/mol
LogP13.59
Rot. Bonds7

About N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121295306) has the molecular formula C47H32N2S and a molecular weight of 656.85 g/mol. Its IUPAC name is N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121295306
Molecular FormulaC47H32N2S
Molecular Weight656.85 g/mol
Exact Mass656.23
IUPAC NameN-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccncc56)c4)cc3)cc2)cc1
InChIInChI=1S/C47H32N2S/c1-3-8-33(9-4-1)35-14-21-41(22-15-35)49(42-23-16-36(17-24-42)34-10-5-2-6-11-34)43-25-18-37(19-26-43)38-12-7-13-39(30-38)40-20-27-44-45-32-48-29-28-46(45)50-47(44)31-40/h1-32H
InChIKeyBIHQXASYOHBRFM-UHFFFAOYSA-N
XLogP13.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.85
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166860803
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-7-amine
CID 166861466
N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine
CID 168738141
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
N-[4-([1]benzothiolo[3,2-c]pyridin-8-yl)phenyl]-N-phenylbenzo[c]phenanthren-2-amine
CID 163968584
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 121295306) is N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccncc56)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is BIHQXASYOHBRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2S/c1-3-8-33(9-4-1)35-14-21-41(22-15-35)49(42-23-16-36(17-24-42)34-10-5-2-6-11-34)43-25-18-37(19-26-43)38-12-7-13-39(30-38)40-20-27-44-45-32-48-29-28-46(45)50-47(44)31-40/h1-32H.
What are the key properties of N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 656.85 g/mol, XLogP of 13.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121295306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).