4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine

C27H34F2N4S2 — CID 635746

IUPAC4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Sc2ccc(F)cc2)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C27H34F2N4S2/c1-3-5-7-9-19-33(20-10-8-6-4-2)25-30-26(34-23-15-11-21(28)12-16-23)32-27(31-25)35-24-17-13-22(29)14-18-24/h11-18H,3-10,19-20H2,1-2H3
InChIKeyZEWXVVJTLZYWCQ-UHFFFAOYSA-N
MW516.73 g/mol
LogP8.42
Rot. Bonds15

About 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine

4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine (PubChem CID 635746) has the molecular formula C27H34F2N4S2 and a molecular weight of 516.73 g/mol. Its IUPAC name is 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine
PubChem CID635746
Molecular FormulaC27H34F2N4S2
Molecular Weight516.73 g/mol
Exact Mass516.22
IUPAC Name4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine
SMILESCCCCCCN(CCCCCC)c1nc(Sc2ccc(F)cc2)nc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C27H34F2N4S2/c1-3-5-7-9-19-33(20-10-8-6-4-2)25-30-26(34-23-15-11-21(28)12-16-23)32-27(31-25)35-24-17-13-22(29)14-18-24/h11-18H,3-10,19-20H2,1-2H3
InChIKeyZEWXVVJTLZYWCQ-UHFFFAOYSA-N
XLogP8.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dihexyl-4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-amine
CID 635465
4-fluoro-N,N-dioctylaniline
CID 91747748
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
N,N-dibutyl-4-fluoroaniline
CID 15399711
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
1,4-difluorobenzene;heptan-1-amine
CID 143706023
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine (CID 635746) is 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine is CCCCCCN(CCCCCC)c1nc(Sc2ccc(F)cc2)nc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine?
The InChIKey is ZEWXVVJTLZYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4S2/c1-3-5-7-9-19-33(20-10-8-6-4-2)25-30-26(34-23-15-11-21(28)12-16-23)32-27(31-25)35-24-17-13-22(29)14-18-24/h11-18H,3-10,19-20H2,1-2H3.
What are the key properties of 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine?
4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine has a molecular weight of 516.73 g/mol, XLogP of 8.42, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-fluorophenyl)sulfanyl]-N,N-dihexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 635746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).