4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline

C43H34N4 — CID 89183043

About 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline

4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline (PubChem CID 89183043) has the molecular formula C43H34N4 and a molecular weight of 606.77 g/mol. Its IUPAC name is 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline.

Molecular Properties

• Compound Name: 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
• PubChem CID: 89183043
• Molecular Formula: C43H34N4
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.28
• IUPAC Name: 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
• SMILES: CC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccc(-c3ccc(N)cc3)cc21
• InChI: InChI=1S/C43H34N4/c1-43(2)36-18-9-10-19-40(36)47(41-25-22-32(27-37(41)43)29-20-23-34(44)24-21-29)35-17-11-16-33(26-35)42-45-38(30-12-5-3-6-13-30)28-39(46-42)31-14-7-4-8-15-31/h3-28H,44H2,1-2H3
• InChIKey: RERAKMXGLIBYSN-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 55.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline?

The IUPAC name of 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline (CID 89183043) is 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline.

What is the SMILES notation for 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline?

The canonical SMILES for 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline is CC1(C)c2ccccc2N(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccc(-c3ccc(N)cc3)cc21.

What is the InChIKey of 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline?

The InChIKey is RERAKMXGLIBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4/c1-43(2)36-18-9-10-19-40(36)47(41-25-22-32(27-37(41)43)29-20-23-34(44)24-21-29)35-17-11-16-33(26-35)42-45-38(30-12-5-3-6-13-30)28-39(46-42)31-14-7-4-8-15-31/h3-28H,44H2,1-2H3.

What are the key properties of 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline?

4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline has a molecular weight of 606.77 g/mol, XLogP of 10.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline is sourced from PubChem (CID 89183043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).