10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine

C42H41N5 — CID 146428676

IUPAC10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine
SMILESCN1C(c2ccccc2)=NC(C2=CC=CCC2)NC1C1C=C(c2ccccc2)C=NC1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C42H41N5/c1-42(2)34-23-13-15-25-36(34)47(37-26-16-14-24-35(37)42)40-33(27-32(28-43-40)29-17-7-4-8-18-29)41-45-38(30-19-9-5-10-20-30)44-39(46(41)3)31-21-11-6-12-22-31/h4-9,11-19,21-28,33,38,40-41,45H,10,20H2,1-3H3
InChIKeyKSGFMOKPENGHMR-UHFFFAOYSA-N
MW615.83 g/mol
LogP8.48
Rot. Bonds5

About 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine

10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine (PubChem CID 146428676) has the molecular formula C42H41N5 and a molecular weight of 615.83 g/mol. Its IUPAC name is 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine
PubChem CID146428676
Molecular FormulaC42H41N5
Molecular Weight615.83 g/mol
Exact Mass615.34
IUPAC Name10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine
SMILESCN1C(c2ccccc2)=NC(C2=CC=CCC2)NC1C1C=C(c2ccccc2)C=NC1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C42H41N5/c1-42(2)34-23-13-15-25-36(34)47(37-26-16-14-24-35(37)42)40-33(27-32(28-43-40)29-17-7-4-8-18-29)41-45-38(30-19-9-5-10-20-30)44-39(46(41)3)31-21-11-6-12-22-31/h4-9,11-19,21-28,33,38,40-41,45H,10,20H2,1-3H3
InChIKeyKSGFMOKPENGHMR-UHFFFAOYSA-N
XLogP8.48
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.83
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine (CID 146428676) is 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine is CN1C(c2ccccc2)=NC(C2=CC=CCC2)NC1C1C=C(c2ccccc2)C=NC1N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine?
The InChIKey is KSGFMOKPENGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N5/c1-42(2)34-23-13-15-25-36(34)47(37-26-16-14-24-35(37)42)40-33(27-32(28-43-40)29-17-7-4-8-18-29)41-45-38(30-19-9-5-10-20-30)44-39(46(41)3)31-21-11-6-12-22-31/h4-9,11-19,21-28,33,38,40-41,45H,10,20H2,1-3H3.
What are the key properties of 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine?
10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine has a molecular weight of 615.83 g/mol, XLogP of 8.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(6-cyclohexa-1,3-dien-1-yl-3-methyl-4-phenyl-2,6-dihydro-1H-1,3,5-triazin-2-yl)-5-phenyl-2,3-dihydropyridin-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 146428676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).