[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane

C39H29N3S — CID 137421297

IUPAC[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C39H29N3S/c1-6-17-30(18-7-1)37-40-38(31-19-8-2-9-20-31)42-39(41-37)32-21-16-28-36(29-32)43(33-22-10-3-11-23-33,34-24-12-4-13-25-34)35-26-14-5-15-27-35/h1-29H
InChIKeyCUTHHMOEGIJKOB-UHFFFAOYSA-N
MW571.75 g/mol
LogP10.21
Rot. Bonds7

About [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane

[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane (PubChem CID 137421297) has the molecular formula C39H29N3S and a molecular weight of 571.75 g/mol. Its IUPAC name is [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane
PubChem CID137421297
Molecular FormulaC39H29N3S
Molecular Weight571.75 g/mol
Exact Mass571.21
IUPAC Name[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C39H29N3S/c1-6-17-30(18-7-1)37-40-38(31-19-8-2-9-20-31)42-39(41-37)32-21-16-28-36(29-32)43(33-22-10-3-11-23-33,34-24-12-4-13-25-34)35-26-14-5-15-27-35/h1-29H
InChIKeyCUTHHMOEGIJKOB-UHFFFAOYSA-N
XLogP10.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.75
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170245167
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane?
The IUPAC name of [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane (CID 137421297) is [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane?
The canonical SMILES for [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane?
The InChIKey is CUTHHMOEGIJKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3S/c1-6-17-30(18-7-1)37-40-38(31-19-8-2-9-20-31)42-39(41-37)32-21-16-28-36(29-32)43(33-22-10-3-11-23-33,34-24-12-4-13-25-34)35-26-14-5-15-27-35/h1-29H.
What are the key properties of [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane?
[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane has a molecular weight of 571.75 g/mol, XLogP of 10.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 137421297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).