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

C51H30N4S3 — CID 171727214

IUPACN-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C51H30N4S3/c1-2-10-34(11-3-1)55(36-24-25-40-37-12-4-7-15-43(37)58-48(40)30-36)35-22-18-31(19-23-35)49-52-50(32-20-26-46-41(28-32)38-13-5-8-16-44(38)56-46)54-51(53-49)33-21-27-47-42(29-33)39-14-6-9-17-45(39)57-47/h1-30H
InChIKeyFNSKIDHGJIODHZ-UHFFFAOYSA-N
MW795.03 g/mol
LogP15.45
Rot. Bonds6

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

N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine (PubChem CID 171727214) has the molecular formula C51H30N4S3 and a molecular weight of 795.03 g/mol. Its IUPAC name is N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
PubChem CID171727214
Molecular FormulaC51H30N4S3
Molecular Weight795.03 g/mol
Exact Mass794.16
IUPAC NameN-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
SMILESc1ccc(N(c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C51H30N4S3/c1-2-10-34(11-3-1)55(36-24-25-40-37-12-4-7-15-43(37)58-48(40)30-36)35-22-18-31(19-23-35)49-52-50(32-20-26-46-41(28-32)38-13-5-8-16-44(38)56-46)54-51(53-49)33-21-27-47-42(29-33)39-14-6-9-17-45(39)57-47/h1-30H
InChIKeyFNSKIDHGJIODHZ-UHFFFAOYSA-N
XLogP15.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.03
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
CID 170096283
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-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727083
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
N-dibenzothiophen-3-yl-N-phenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaen-7-amine
CID 162475544
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169

Frequently Asked Questions

What is the IUPAC name of N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine (CID 171727214) is N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine is c1ccc(N(c2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
The InChIKey is FNSKIDHGJIODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S3/c1-2-10-34(11-3-1)55(36-24-25-40-37-12-4-7-15-43(37)58-48(40)30-36)35-22-18-31(19-23-35)49-52-50(32-20-26-46-41(28-32)38-13-5-8-16-44(38)56-46)54-51(53-49)33-21-27-47-42(29-33)39-14-6-9-17-45(39)57-47/h1-30H.
What are the key properties of N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine?
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine has a molecular weight of 795.03 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 171727214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).