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

C51H28N4S4 — CID 171727040

IUPACN,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)sc1cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4sc4ccccc45)n3)ccc12
InChIInChI=1S/C51H28N4S4/c1-5-16-41-32(10-1)36-23-20-30(27-47(36)58-41)50-52-49(29-21-24-45-38(26-29)34-12-3-6-17-42(34)56-45)53-51(54-50)55(31-22-25-46-39(28-31)35-13-4-7-18-43(35)57-46)40-15-9-14-37-33-11-2-8-19-44(33)59-48(37)40/h1-28H
InChIKeyKOYSQRDNXTWXGM-UHFFFAOYSA-N
MW825.08 g/mol
LogP16.15
Rot. Bonds5

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

N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine (PubChem CID 171727040) has the molecular formula C51H28N4S4 and a molecular weight of 825.08 g/mol. Its IUPAC name is N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
PubChem CID171727040
Molecular FormulaC51H28N4S4
Molecular Weight825.08 g/mol
Exact Mass824.12
IUPAC NameN,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
SMILESc1ccc2c(c1)sc1cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4sc4ccccc45)n3)ccc12
InChIInChI=1S/C51H28N4S4/c1-5-16-41-32(10-1)36-23-20-30(27-47(36)58-41)50-52-49(29-21-24-45-38(26-29)34-12-3-6-17-42(34)56-45)53-51(54-50)55(31-22-25-46-39(28-31)35-13-4-7-18-43(35)57-46)40-15-9-14-37-33-11-2-8-19-44(33)59-48(37)40/h1-28H
InChIKeyKOYSQRDNXTWXGM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727083
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-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727080
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
3-N-[4-(N-[8-[3-(N-[3-(N-[4-(N-dibenzothiophen-4-ylanilino)phenyl]anilino)phenyl]anilino)phenyl]dibenzothiophen-2-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 163460336
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
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
5-N-dibenzothiophen-2-yl-19-N-dibenzothiophen-4-yl-5-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494364

Frequently Asked Questions

What is the IUPAC name of N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine (CID 171727040) is N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine is c1ccc2c(c1)sc1cc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(N(c4ccc5sc6ccccc6c5c4)c4cccc5c4sc4ccccc45)n3)ccc12.
What is the InChIKey of N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KOYSQRDNXTWXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4S4/c1-5-16-41-32(10-1)36-23-20-30(27-47(36)58-41)50-52-49(29-21-24-45-38(26-29)34-12-3-6-17-42(34)56-45)53-51(54-50)55(31-22-25-46-39(28-31)35-13-4-7-18-43(35)57-46)40-15-9-14-37-33-11-2-8-19-44(33)59-48(37)40/h1-28H.
What are the key properties of N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine?
N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-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,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).