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

C45H33N3S — CID 170245167

IUPACtriphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C45H33N3S/c1-6-16-34(17-7-1)35-26-28-37(29-27-35)44-46-43(36-18-8-2-9-19-36)47-45(48-44)38-30-32-42(33-31-38)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41/h1-33H
InChIKeyKNROUYURCZLYCH-UHFFFAOYSA-N
MW647.85 g/mol
LogP11.88
Rot. Bonds8

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

triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane (PubChem CID 170245167) has the molecular formula C45H33N3S and a molecular weight of 647.85 g/mol. Its IUPAC name is triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
PubChem CID170245167
Molecular FormulaC45H33N3S
Molecular Weight647.85 g/mol
Exact Mass647.24
IUPAC Nametriphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C45H33N3S/c1-6-16-34(17-7-1)35-26-28-37(29-27-35)44-46-43(36-18-8-2-9-19-36)47-45(48-44)38-30-32-42(33-31-38)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41/h1-33H
InChIKeyKNROUYURCZLYCH-UHFFFAOYSA-N
XLogP11.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.85
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-triphenyl-λ4-sulfane
CID 137421297
[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
CID 167154831
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
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
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
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-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?
The IUPAC name of triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane (CID 170245167) is triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?
The canonical SMILES for triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?
The InChIKey is KNROUYURCZLYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3S/c1-6-16-34(17-7-1)35-26-28-37(29-27-35)44-46-43(36-18-8-2-9-19-36)47-45(48-44)38-30-32-42(33-31-38)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41/h1-33H.
What are the key properties of triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane?
triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane has a molecular weight of 647.85 g/mol, XLogP of 11.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane is sourced from PubChem (CID 170245167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).