N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine

C51H30N4S3 — CID 171727071

IUPACN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C51H30N4S3/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)55(41-16-10-20-47-48(41)38-15-6-9-19-44(38)58-47)51-53-49(33-23-27-45-39(29-33)36-13-4-7-17-42(36)56-45)52-50(54-51)34-24-28-46-40(30-34)37-14-5-8-18-43(37)57-46/h1-30H
InChIKeyAYLWCCIBCZBQQK-UHFFFAOYSA-N
MW795.03 g/mol
LogP15.45
Rot. Bonds6

About N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine

N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 171727071) has the molecular formula C51H30N4S3 and a molecular weight of 795.03 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID171727071
Molecular FormulaC51H30N4S3
Molecular Weight795.03 g/mol
Exact Mass794.16
IUPAC NameN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2ccc(N(c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C51H30N4S3/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)55(41-16-10-20-47-48(41)38-15-6-9-19-44(38)58-47)51-53-49(33-23-27-45-39(29-33)36-13-4-7-17-42(36)56-45)52-50(54-51)34-24-28-46-40(30-34)37-14-5-8-18-43(37)57-46/h1-30H
InChIKeyAYLWCCIBCZBQQK-UHFFFAOYSA-N
XLogP15.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.03
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171726969
N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171727074
N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727083
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727136
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
CID 171727040
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine (CID 171727071) is N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is c1ccc(-c2ccc(N(c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is AYLWCCIBCZBQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S3/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)55(41-16-10-20-47-48(41)38-15-6-9-19-44(38)58-47)51-53-49(33-23-27-45-39(29-33)36-13-4-7-17-42(36)56-45)52-50(54-51)34-24-28-46-40(30-34)37-14-5-8-18-43(37)57-46/h1-30H.
What are the key properties of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 795.03 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).