9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine

C36H33NO — CID 68542724

IUPAC9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine
SMILESCOc1ccc(C(C)(C)C)cc1C1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C36H33NO/c1-35(2,3)27-23-24-34(38-4)31(25-27)36(26-15-7-5-8-16-26)29-19-11-13-21-32(29)37(28-17-9-6-10-18-28)33-22-14-12-20-30(33)36/h5-25H,1-4H3
InChIKeyFTEMQVHVDZWYMD-UHFFFAOYSA-N
MW495.67 g/mol
LogP9.16
Rot. Bonds4

About 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine

9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine (PubChem CID 68542724) has the molecular formula C36H33NO and a molecular weight of 495.67 g/mol. Its IUPAC name is 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine.

Molecular Properties

Compound Name9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine
PubChem CID68542724
Molecular FormulaC36H33NO
Molecular Weight495.67 g/mol
Exact Mass495.26
IUPAC Name9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine
SMILESCOc1ccc(C(C)(C)C)cc1C1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C36H33NO/c1-35(2,3)27-23-24-34(38-4)31(25-27)36(26-15-7-5-8-16-26)29-19-11-13-21-32(29)37(28-17-9-6-10-18-28)33-22-14-12-20-30(33)36/h5-25H,1-4H3
InChIKeyFTEMQVHVDZWYMD-UHFFFAOYSA-N
XLogP9.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine?
The IUPAC name of 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine (CID 68542724) is 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine.
What is the SMILES notation for 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine?
The canonical SMILES for 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine is COc1ccc(C(C)(C)C)cc1C1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine?
The InChIKey is FTEMQVHVDZWYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33NO/c1-35(2,3)27-23-24-34(38-4)31(25-27)36(26-15-7-5-8-16-26)29-19-11-13-21-32(29)37(28-17-9-6-10-18-28)33-22-14-12-20-30(33)36/h5-25H,1-4H3.
What are the key properties of 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine?
9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine has a molecular weight of 495.67 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-tert-butyl-2-methoxyphenyl)-9,10-diphenylacridine is sourced from PubChem (CID 68542724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).