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

C51H28N4S4 — CID 171727083

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

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

N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine (PubChem CID 171727083) has the molecular formula C51H28N4S4 and a molecular weight of 825.08 g/mol. Its IUPAC name is N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
PubChem CID171727083
Molecular FormulaC51H28N4S4
Molecular Weight825.08 g/mol
Exact Mass824.12
IUPAC NameN,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)n3)cc12
InChIInChI=1S/C51H28N4S4/c1-5-13-41-33(9-1)37-25-29(17-21-45(37)56-41)49-52-50(30-18-22-46-38(26-30)34-10-2-6-14-42(34)57-46)54-51(53-49)55(31-19-23-47-39(27-31)35-11-3-7-15-43(35)58-47)32-20-24-48-40(28-32)36-12-4-8-16-44(36)59-48/h1-28H
InChIKeyAIHSRDSCSPETSH-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-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
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-4,6-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-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
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,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490

Frequently Asked Questions

What is the IUPAC name of N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine (CID 171727083) is N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine is c1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)n3)cc12.
What is the InChIKey of N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is AIHSRDSCSPETSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4S4/c1-5-13-41-33(9-1)37-25-29(17-21-45(37)56-41)49-52-50(30-18-22-46-38(26-30)34-10-2-6-14-42(34)57-46)54-51(53-49)55(31-19-23-47-39(27-31)35-11-3-7-15-43(35)58-47)32-20-24-48-40(28-32)36-12-4-8-16-44(36)59-48/h1-28H.
What are the key properties of N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine?
N,N,4,6-tetra(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,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).