9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine

C56H44N4 — CID 130380034

About 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine

9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine (PubChem CID 130380034) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine.

Molecular Properties

• Compound Name: 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
• PubChem CID: 130380034
• Molecular Formula: C56H44N4
• Molecular Weight: 773.00 g/mol
• Exact Mass: 772.36
• IUPAC Name: 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
• SMILES: Cc1ccccc1-c1ccccc1-c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)c1C
• InChI: InChI=1S/C56H44N4/c1-37-19-8-9-22-42(37)45-23-10-12-25-47(45)48-26-13-11-24-46(48)43-27-18-28-44(38(43)2)55-58-53(39-20-6-5-7-21-39)57-54(59-55)40-33-35-41(36-34-40)60-51-31-16-14-29-49(51)56(3,4)50-30-15-17-32-52(50)60/h5-36H,1-4H3
• InChIKey: LRQWJBMQSOCTCY-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.00
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine?

The IUPAC name of 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine (CID 130380034) is 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine.

What is the SMILES notation for 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine?

The canonical SMILES for 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine is Cc1ccccc1-c1ccccc1-c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)c1C.

What is the InChIKey of 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine?

The InChIKey is LRQWJBMQSOCTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-37-19-8-9-22-42(37)45-23-10-12-25-47(45)48-26-13-11-24-46(48)43-27-18-28-44(38(43)2)55-58-53(39-20-6-5-7-21-39)57-54(59-55)40-33-35-41(36-34-40)60-51-31-16-14-29-49(51)56(3,4)50-30-15-17-32-52(50)60/h5-36H,1-4H3.

What are the key properties of 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine?

9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine has a molecular weight of 773.00 g/mol, XLogP of 14.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine is sourced from PubChem (CID 130380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).