9,9-bis(2-methylphenyl)-10-phenylacridine

C33H27N — CID 59470095

IUPAC9,9-bis(2-methylphenyl)-10-phenylacridine
SMILESCc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H27N/c1-24-14-6-8-18-27(24)33(28-19-9-7-15-25(28)2)29-20-10-12-22-31(29)34(26-16-4-3-5-17-26)32-23-13-11-21-30(32)33/h3-23H,1-2H3
InChIKeyDCSGHJPAFNEELB-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.47
Rot. Bonds3

About 9,9-bis(2-methylphenyl)-10-phenylacridine

9,9-bis(2-methylphenyl)-10-phenylacridine (PubChem CID 59470095) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is 9,9-bis(2-methylphenyl)-10-phenylacridine.

Molecular Properties

Compound Name9,9-bis(2-methylphenyl)-10-phenylacridine
PubChem CID59470095
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC Name9,9-bis(2-methylphenyl)-10-phenylacridine
SMILESCc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H27N/c1-24-14-6-8-18-27(24)33(28-19-9-7-15-25(28)2)29-20-10-12-22-31(29)34(26-16-4-3-5-17-26)32-23-13-11-21-30(32)33/h3-23H,1-2H3
InChIKeyDCSGHJPAFNEELB-UHFFFAOYSA-N
XLogP8.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-methylphenyl)-10-phenylacridine?
The IUPAC name of 9,9-bis(2-methylphenyl)-10-phenylacridine (CID 59470095) is 9,9-bis(2-methylphenyl)-10-phenylacridine.
What is the SMILES notation for 9,9-bis(2-methylphenyl)-10-phenylacridine?
The canonical SMILES for 9,9-bis(2-methylphenyl)-10-phenylacridine is Cc1ccccc1C1(c2ccccc2C)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 9,9-bis(2-methylphenyl)-10-phenylacridine?
The InChIKey is DCSGHJPAFNEELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-24-14-6-8-18-27(24)33(28-19-9-7-15-25(28)2)29-20-10-12-22-31(29)34(26-16-4-3-5-17-26)32-23-13-11-21-30(32)33/h3-23H,1-2H3.
What are the key properties of 9,9-bis(2-methylphenyl)-10-phenylacridine?
9,9-bis(2-methylphenyl)-10-phenylacridine has a molecular weight of 437.59 g/mol, XLogP of 8.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-methylphenyl)-10-phenylacridine is sourced from PubChem (CID 59470095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).