6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C37H39FN6 — CID 118857297

IUPAC6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2F)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C37H39FN6/c1-35(2)28-20-19-24(21-29(28)36(3,4)37(35,5)6)31-22-30(38)27(23-39-31)32-40-33(43(7)25-15-11-9-12-16-25)42-34(41-32)44(8)26-17-13-10-14-18-26/h9-23H,1-8H3
InChIKeyCQLSJNYIAYRNGB-UHFFFAOYSA-N
MW586.76 g/mol
LogP8.87
Rot. Bonds6

About 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 118857297) has the molecular formula C37H39FN6 and a molecular weight of 586.76 g/mol. Its IUPAC name is 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID118857297
Molecular FormulaC37H39FN6
Molecular Weight586.76 g/mol
Exact Mass586.32
IUPAC Name6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2F)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C37H39FN6/c1-35(2)28-20-19-24(21-29(28)36(3,4)37(35,5)6)31-22-30(38)27(23-39-31)32-40-33(43(7)25-15-11-9-12-16-25)42-34(41-32)44(8)26-17-13-10-14-18-26/h9-23H,1-8H3
InChIKeyCQLSJNYIAYRNGB-UHFFFAOYSA-N
XLogP8.87
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.76
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 118857297) is 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is CN(c1ccccc1)c1nc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)cc2F)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CQLSJNYIAYRNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN6/c1-35(2)28-20-19-24(21-29(28)36(3,4)37(35,5)6)31-22-30(38)27(23-39-31)32-40-33(43(7)25-15-11-9-12-16-25)42-34(41-32)44(8)26-17-13-10-14-18-26/h9-23H,1-8H3.
What are the key properties of 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 586.76 g/mol, XLogP of 8.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).