2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine

C48H64N2 — CID 145186373

IUPAC2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine
SMILESCN1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)CCC(C)(C)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3N4C)ccc21
InChIInChI=1S/C48H64N2/c1-43(2,3)31-17-21-39-35(27-31)47(11,12)37-29-33(19-23-41(37)49(39)15)45(7,8)25-26-46(9,10)34-20-24-42-38(30-34)48(13,14)36-28-32(44(4,5)6)18-22-40(36)50(42)16/h17-24,27-30H,25-26H2,1-16H3
InChIKeyMYDGSYNKWWTGAR-UHFFFAOYSA-N
MW669.05 g/mol
LogP13.13
Rot. Bonds5

About 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine

2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine (PubChem CID 145186373) has the molecular formula C48H64N2 and a molecular weight of 669.05 g/mol. Its IUPAC name is 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine.

Molecular Properties

Compound Name2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine
PubChem CID145186373
Molecular FormulaC48H64N2
Molecular Weight669.05 g/mol
Exact Mass668.51
IUPAC Name2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine
SMILESCN1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)CCC(C)(C)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3N4C)ccc21
InChIInChI=1S/C48H64N2/c1-43(2,3)31-17-21-39-35(27-31)47(11,12)37-29-33(19-23-41(37)49(39)15)45(7,8)25-26-46(9,10)34-20-24-42-38(30-34)48(13,14)36-28-32(44(4,5)6)18-22-40(36)50(42)16/h17-24,27-30H,25-26H2,1-16H3
InChIKeyMYDGSYNKWWTGAR-UHFFFAOYSA-N
XLogP13.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.05
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine?
The IUPAC name of 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine (CID 145186373) is 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine.
What is the SMILES notation for 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine?
The canonical SMILES for 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine is CN1c2ccc(C(C)(C)C)cc2C(C)(C)c2cc(C(C)(C)CCC(C)(C)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3N4C)ccc21.
What is the InChIKey of 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine?
The InChIKey is MYDGSYNKWWTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N2/c1-43(2,3)31-17-21-39-35(27-31)47(11,12)37-29-33(19-23-41(37)49(39)15)45(7,8)25-26-46(9,10)34-20-24-42-38(30-34)48(13,14)36-28-32(44(4,5)6)18-22-40(36)50(42)16/h17-24,27-30H,25-26H2,1-16H3.
What are the key properties of 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine?
2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine has a molecular weight of 669.05 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[5-(7-tert-butyl-9,9,10-trimethylacridin-2-yl)-2,5-dimethylhexan-2-yl]-9,9,10-trimethylacridine is sourced from PubChem (CID 145186373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).