4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine

C32H35F2N5 — CID 118857266

IUPAC4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCc1cc2c(cc1-c1cc(C)c(-c3nc(-c4ccccc4)nc(N(C)C)n3)cn1)C(C)(C)C(F)(F)C2(C)C
InChIInChI=1S/C32H35F2N5/c1-9-20-16-24-25(31(5,6)32(33,34)30(24,3)4)17-22(20)26-15-19(2)23(18-35-26)28-36-27(21-13-11-10-12-14-21)37-29(38-28)39(7)8/h10-18H,9H2,1-8H3
InChIKeyHPSSISLXZATIEQ-UHFFFAOYSA-N
MW527.66 g/mol
LogP7.41
Rot. Bonds5

About 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine

4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 118857266) has the molecular formula C32H35F2N5 and a molecular weight of 527.66 g/mol. Its IUPAC name is 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID118857266
Molecular FormulaC32H35F2N5
Molecular Weight527.66 g/mol
Exact Mass527.29
IUPAC Name4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine
SMILESCCc1cc2c(cc1-c1cc(C)c(-c3nc(-c4ccccc4)nc(N(C)C)n3)cn1)C(C)(C)C(F)(F)C2(C)C
InChIInChI=1S/C32H35F2N5/c1-9-20-16-24-25(31(5,6)32(33,34)30(24,3)4)17-22(20)26-15-19(2)23(18-35-26)28-36-27(21-13-11-10-12-14-21)37-29(38-28)39(7)8/h10-18H,9H2,1-8H3
InChIKeyHPSSISLXZATIEQ-UHFFFAOYSA-N
XLogP7.41
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.66
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine (CID 118857266) is 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine is CCc1cc2c(cc1-c1cc(C)c(-c3nc(-c4ccccc4)nc(N(C)C)n3)cn1)C(C)(C)C(F)(F)C2(C)C.
What is the InChIKey of 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is HPSSISLXZATIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5/c1-9-20-16-24-25(31(5,6)32(33,34)30(24,3)4)17-22(20)26-15-19(2)23(18-35-26)28-36-27(21-13-11-10-12-14-21)37-29(38-28)39(7)8/h10-18H,9H2,1-8H3.
What are the key properties of 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine?
4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 527.66 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-ethyl-2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]-N,N-dimethyl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118857266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).