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

C51H28N4S4 — CID 171727030

IUPACN-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6ccccc6c45)n3)cc12
InChIInChI=1S/C51H28N4S4/c1-5-15-40-32(10-1)36-26-29(20-23-44(36)56-40)49-52-50(30-21-24-45-37(27-30)33-11-2-6-16-41(33)57-45)54-51(53-49)55(31-22-25-46-38(28-31)34-12-3-7-17-42(34)58-46)39-14-9-19-47-48(39)35-13-4-8-18-43(35)59-47/h1-28H
InChIKeyUGCCPLODBMZYER-UHFFFAOYSA-N
MW825.08 g/mol
LogP16.15
Rot. Bonds5

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

N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 171727030) has the molecular formula C51H28N4S4 and a molecular weight of 825.08 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
PubChem CID171727030
Molecular FormulaC51H28N4S4
Molecular Weight825.08 g/mol
Exact Mass824.12
IUPAC NameN-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6ccccc6c45)n3)cc12
InChIInChI=1S/C51H28N4S4/c1-5-15-40-32(10-1)36-26-29(20-23-44(36)56-40)49-52-50(30-21-24-45-37(27-30)33-11-2-6-16-41(33)57-45)54-51(53-49)55(31-22-25-46-38(28-31)34-12-3-7-17-42(34)58-46)39-14-9-19-47-48(39)35-13-4-8-18-43(35)59-47/h1-28H
InChIKeyUGCCPLODBMZYER-UHFFFAOYSA-N
XLogP16.15
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.08
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727071
N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727083
N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
CID 171727040
N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171727074
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-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727136
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
4,6-di(dibenzofuran-2-yl)-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-amine
CID 171727185
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine (CID 171727030) is N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine is c1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5sc6ccccc6c45)n3)cc12.
What is the InChIKey of N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is UGCCPLODBMZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4S4/c1-5-15-40-32(10-1)36-26-29(20-23-44(36)56-40)49-52-50(30-21-24-45-37(27-30)33-11-2-6-16-41(33)57-45)54-51(53-49)55(31-22-25-46-38(28-31)34-12-3-7-17-42(34)58-46)39-14-9-19-47-48(39)35-13-4-8-18-43(35)59-47/h1-28H.
What are the key properties of N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 825.08 g/mol, XLogP of 16.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).