10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine

C33H34N2 — CID 166909608

IUPAC10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2CC1(C)c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C33H34N2/c1-22-15-17-30-26(19-22)32(3,4)27-20-23(2)16-18-31(27)35(30)21-33(5)24-11-7-9-13-28(24)34(6)29-14-10-8-12-25(29)33/h7-20H,21H2,1-6H3
InChIKeyACOXTXOCLLSQAR-UHFFFAOYSA-N
MW458.65 g/mol
LogP8.17
Rot. Bonds2

About 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine

10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine (PubChem CID 166909608) has the molecular formula C33H34N2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine.

Molecular Properties

Compound Name10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
PubChem CID166909608
Molecular FormulaC33H34N2
Molecular Weight458.65 g/mol
Exact Mass458.27
IUPAC Name10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2CC1(C)c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C33H34N2/c1-22-15-17-30-26(19-22)32(3,4)27-20-23(2)16-18-31(27)35(30)21-33(5)24-11-7-9-13-28(24)34(6)29-14-10-8-12-25(29)33/h7-20H,21H2,1-6H3
InChIKeyACOXTXOCLLSQAR-UHFFFAOYSA-N
XLogP8.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine?
The IUPAC name of 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine (CID 166909608) is 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine.
What is the SMILES notation for 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine?
The canonical SMILES for 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2CC1(C)c2ccccc2N(C)c2ccccc21.
What is the InChIKey of 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine?
The InChIKey is ACOXTXOCLLSQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2/c1-22-15-17-30-26(19-22)32(3,4)27-20-23(2)16-18-31(27)35(30)21-33(5)24-11-7-9-13-28(24)34(6)29-14-10-8-12-25(29)33/h7-20H,21H2,1-6H3.
What are the key properties of 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine?
10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine has a molecular weight of 458.65 g/mol, XLogP of 8.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(9,10-dimethylacridin-9-yl)methyl]-2,7,9,9-tetramethylacridine is sourced from PubChem (CID 166909608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).