bis[2-(2-amino-5-methylphenyl)phenyl]methanone

C27H24N2O — CID 139990315

IUPACbis[2-(2-amino-5-methylphenyl)phenyl]methanone
SMILESCc1ccc(N)c(-c2ccccc2C(=O)c2ccccc2-c2cc(C)ccc2N)c1
InChIInChI=1S/C27H24N2O/c1-17-11-13-25(28)23(15-17)19-7-3-5-9-21(19)27(30)22-10-6-4-8-20(22)24-16-18(2)12-14-26(24)29/h3-16H,28-29H2,1-2H3
InChIKeyHYBUHIZYVFLHPY-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.03
Rot. Bonds4

About bis[2-(2-amino-5-methylphenyl)phenyl]methanone

bis[2-(2-amino-5-methylphenyl)phenyl]methanone (PubChem CID 139990315) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is bis[2-(2-amino-5-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(2-amino-5-methylphenyl)phenyl]methanone
PubChem CID139990315
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Namebis[2-(2-amino-5-methylphenyl)phenyl]methanone
SMILESCc1ccc(N)c(-c2ccccc2C(=O)c2ccccc2-c2cc(C)ccc2N)c1
InChIInChI=1S/C27H24N2O/c1-17-11-13-25(28)23(15-17)19-7-3-5-9-21(19)27(30)22-10-6-4-8-20(22)24-16-18(2)12-14-26(24)29/h3-16H,28-29H2,1-2H3
InChIKeyHYBUHIZYVFLHPY-UHFFFAOYSA-N
XLogP6.03
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-amino-5-methylphenyl)phenyl]methanone?
The IUPAC name of bis[2-(2-amino-5-methylphenyl)phenyl]methanone (CID 139990315) is bis[2-(2-amino-5-methylphenyl)phenyl]methanone.
What is the SMILES notation for bis[2-(2-amino-5-methylphenyl)phenyl]methanone?
The canonical SMILES for bis[2-(2-amino-5-methylphenyl)phenyl]methanone is Cc1ccc(N)c(-c2ccccc2C(=O)c2ccccc2-c2cc(C)ccc2N)c1.
What is the InChIKey of bis[2-(2-amino-5-methylphenyl)phenyl]methanone?
The InChIKey is HYBUHIZYVFLHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-17-11-13-25(28)23(15-17)19-7-3-5-9-21(19)27(30)22-10-6-4-8-20(22)24-16-18(2)12-14-26(24)29/h3-16H,28-29H2,1-2H3.
What are the key properties of bis[2-(2-amino-5-methylphenyl)phenyl]methanone?
bis[2-(2-amino-5-methylphenyl)phenyl]methanone has a molecular weight of 392.50 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-amino-5-methylphenyl)phenyl]methanone is sourced from PubChem (CID 139990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).