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

C41H28N2S — CID 166860803

IUPACN-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccncc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-7-29(8-4-1)31-11-18-35(19-12-31)43(36-20-13-32(14-21-36)30-9-5-2-6-10-30)37-22-15-33(16-23-37)34-17-24-38-39-28-42-26-25-40(39)44-41(38)27-34/h1-28H
InChIKeyYBMXTFXYDUURCQ-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.92
Rot. Bonds6

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

N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166860803) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166860803
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC NameN-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccncc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-7-29(8-4-1)31-11-18-35(19-12-31)43(36-20-13-32(14-21-36)30-9-5-2-6-10-30)37-22-15-33(16-23-37)34-17-24-38-39-28-42-26-25-40(39)44-41(38)27-34/h1-28H
InChIKeyYBMXTFXYDUURCQ-UHFFFAOYSA-N
XLogP11.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.76
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295306
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
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-(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-([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-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 166860803) is N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccncc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YBMXTFXYDUURCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-3-7-29(8-4-1)31-11-18-35(19-12-31)43(36-20-13-32(14-21-36)30-9-5-2-6-10-30)37-22-15-33(16-23-37)34-17-24-38-39-28-42-26-25-40(39)44-41(38)27-34/h1-28H.
What are the key properties of N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 580.76 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166860803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).