10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine

C36H28N4 — CID 118528399

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyIVXBGKPGZOETEW-UHFFFAOYSA-N
MW516.65 g/mol
LogP8.98
Rot. Bonds4

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine (PubChem CID 118528399) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
PubChem CID118528399
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyIVXBGKPGZOETEW-UHFFFAOYSA-N
XLogP8.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine (CID 118528399) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is IVXBGKPGZOETEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-36(2)29-17-9-11-19-31(29)40(32-20-12-10-18-30(32)36)28-23-21-27(22-24-28)35-38-33(25-13-5-3-6-14-25)37-34(39-35)26-15-7-4-8-16-26/h3-24H,1-2H3.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 516.65 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 118528399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).