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

C45H26N4S3 — CID 171726969

IUPACN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C45H26N4S3/c1-2-11-29(12-3-1)49(35-16-10-20-41-42(35)32-15-6-9-19-38(32)52-41)45-47-43(27-21-23-39-33(25-27)30-13-4-7-17-36(30)50-39)46-44(48-45)28-22-24-40-34(26-28)31-14-5-8-18-37(31)51-40/h1-26H
InChIKeyBWEZWBOMGFFRFL-UHFFFAOYSA-N
MW718.93 g/mol
LogP13.78
Rot. Bonds5

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

N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 171726969) has the molecular formula C45H26N4S3 and a molecular weight of 718.93 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
PubChem CID171726969
Molecular FormulaC45H26N4S3
Molecular Weight718.93 g/mol
Exact Mass718.13
IUPAC NameN-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C45H26N4S3/c1-2-11-29(12-3-1)49(35-16-10-20-41-42(35)32-15-6-9-19-38(32)52-41)45-47-43(27-21-23-39-33(25-27)30-13-4-7-17-36(30)50-39)46-44(48-45)28-22-24-40-34(26-28)31-14-5-8-18-37(31)51-40/h1-26H
InChIKeyBWEZWBOMGFFRFL-UHFFFAOYSA-N
XLogP13.78
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.93
LogP ≤ 513.78
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-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727071
N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
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
N,4-di(dibenzothiophen-2-yl)-6-dibenzothiophen-3-yl-N-dibenzothiophen-4-yl-1,3,5-triazin-2-amine
CID 171727040
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
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-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-[4-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-3-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 134553278
N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
CID 176818428

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine (CID 171726969) is N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine is c1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is BWEZWBOMGFFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4S3/c1-2-11-29(12-3-1)49(35-16-10-20-41-42(35)32-15-6-9-19-38(32)52-41)45-47-43(27-21-23-39-33(25-27)30-13-4-7-17-36(30)50-39)46-44(48-45)28-22-24-40-34(26-28)31-14-5-8-18-37(31)51-40/h1-26H.
What are the key properties of N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 718.93 g/mol, XLogP of 13.78, 5 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-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).