10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine

C36H27N — CID 58556165

IUPAC10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3Cc3cc(-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C36H27N/c1-25-11-17-34(18-12-25)37-35-19-15-29(26-7-3-2-4-8-26)22-32(35)24-33-23-31(16-20-36(33)37)30-14-13-27-9-5-6-10-28(27)21-30/h2-23H,24H2,1H3
InChIKeyCWTPASGRYIYANL-UHFFFAOYSA-N
MW473.62 g/mol
LogP9.86
Rot. Bonds3

About 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine

10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine (PubChem CID 58556165) has the molecular formula C36H27N and a molecular weight of 473.62 g/mol. Its IUPAC name is 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine.

Molecular Properties

Compound Name10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
PubChem CID58556165
Molecular FormulaC36H27N
Molecular Weight473.62 g/mol
Exact Mass473.21
IUPAC Name10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
SMILESCc1ccc(N2c3ccc(-c4ccccc4)cc3Cc3cc(-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C36H27N/c1-25-11-17-34(18-12-25)37-35-19-15-29(26-7-3-2-4-8-26)22-32(35)24-33-23-31(16-20-36(33)37)30-14-13-27-9-5-6-10-28(27)21-30/h2-23H,24H2,1H3
InChIKeyCWTPASGRYIYANL-UHFFFAOYSA-N
XLogP9.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine?
The IUPAC name of 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine (CID 58556165) is 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine.
What is the SMILES notation for 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine?
The canonical SMILES for 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine is Cc1ccc(N2c3ccc(-c4ccccc4)cc3Cc3cc(-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine?
The InChIKey is CWTPASGRYIYANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N/c1-25-11-17-34(18-12-25)37-35-19-15-29(26-7-3-2-4-8-26)22-32(35)24-33-23-31(16-20-36(33)37)30-14-13-27-9-5-6-10-28(27)21-30/h2-23H,24H2,1H3.
What are the key properties of 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine?
10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine has a molecular weight of 473.62 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine is sourced from PubChem (CID 58556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).