9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine

C28H25N — CID 155154651

IUPAC9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine
SMILESCCc1ccccc1C1(c2ccccc2C)c2ccccc2Nc2ccccc21
InChIInChI=1S/C28H25N/c1-3-21-13-5-7-15-23(21)28(22-14-6-4-12-20(22)2)24-16-8-10-18-26(24)29-27-19-11-9-17-25(27)28/h4-19,29H,3H2,1-2H3
InChIKeyKHTMQQRQBYUERY-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.00
Rot. Bonds3

About 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine

9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine (PubChem CID 155154651) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine.

Molecular Properties

Compound Name9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine
PubChem CID155154651
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine
SMILESCCc1ccccc1C1(c2ccccc2C)c2ccccc2Nc2ccccc21
InChIInChI=1S/C28H25N/c1-3-21-13-5-7-15-23(21)28(22-14-6-4-12-20(22)2)24-16-8-10-18-26(24)29-27-19-11-9-17-25(27)28/h4-19,29H,3H2,1-2H3
InChIKeyKHTMQQRQBYUERY-UHFFFAOYSA-N
XLogP7.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine?
The IUPAC name of 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine (CID 155154651) is 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine.
What is the SMILES notation for 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine?
The canonical SMILES for 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine is CCc1ccccc1C1(c2ccccc2C)c2ccccc2Nc2ccccc21.
What is the InChIKey of 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine?
The InChIKey is KHTMQQRQBYUERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-3-21-13-5-7-15-23(21)28(22-14-6-4-12-20(22)2)24-16-8-10-18-26(24)29-27-19-11-9-17-25(27)28/h4-19,29H,3H2,1-2H3.
What are the key properties of 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine?
9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine has a molecular weight of 375.52 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylphenyl)-9-(2-methylphenyl)-10H-acridine is sourced from PubChem (CID 155154651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).