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

C41H28N2S — CID 166861417

IUPACN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccnc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)32-23-25-34(26-24-32)43(37-17-9-7-15-35(37)33-13-5-2-6-14-33)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H
InChIKeyRWFFNIITDMMNJJ-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.92
Rot. Bonds6

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

N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine (PubChem CID 166861417) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
PubChem CID166861417
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccnc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C41H28N2S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)32-23-25-34(26-24-32)43(37-17-9-7-15-35(37)33-13-5-2-6-14-33)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H
InChIKeyRWFFNIITDMMNJJ-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-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277433
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168738270
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166860859
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine (CID 166861417) is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccnc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine?
The InChIKey is RWFFNIITDMMNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-3-11-29(12-4-1)30-19-21-31(22-20-30)32-23-25-34(26-24-32)43(37-17-9-7-15-35(37)33-13-5-2-6-14-33)38-27-28-42-40-36-16-8-10-18-39(36)44-41(38)40/h1-28H.
What are the key properties of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine?
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine 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-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine is sourced from PubChem (CID 166861417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).