N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine

C45H28N4S2 — CID 164829419

IUPACN-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C45H28N4S2/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)35-20-12-22-41-42(35)37-28-33(24-26-40(37)51-41)49(31-17-8-3-9-18-31)32-23-25-39-36(27-32)34-19-10-11-21-38(34)50-39/h1-28H
InChIKeyCLBJDCXGUVRKSF-UHFFFAOYSA-N
MW688.88 g/mol
LogP13.08
Rot. Bonds6

About N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine

N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine (PubChem CID 164829419) has the molecular formula C45H28N4S2 and a molecular weight of 688.88 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
PubChem CID164829419
Molecular FormulaC45H28N4S2
Molecular Weight688.88 g/mol
Exact Mass688.18
IUPAC NameN-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C45H28N4S2/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)35-20-12-22-41-42(35)37-28-33(24-26-40(37)51-41)49(31-17-8-3-9-18-31)32-23-25-39-36(27-32)34-19-10-11-21-38(34)50-39/h1-28H
InChIKeyCLBJDCXGUVRKSF-UHFFFAOYSA-N
XLogP13.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.88
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-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

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-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853433
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597205
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171726969
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
N-naphthalen-1-yl-N-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-amine
CID 163844999
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727136
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727071
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine (CID 164829419) is N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(N(c6ccccc6)c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine?
The InChIKey is CLBJDCXGUVRKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S2/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)35-20-12-22-41-42(35)37-28-33(24-26-40(37)51-41)49(31-17-8-3-9-18-31)32-23-25-39-36(27-32)34-19-10-11-21-38(34)50-39/h1-28H.
What are the key properties of N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine?
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine has a molecular weight of 688.88 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 164829419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).