N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine

C26H23NO — CID 135073672

IUPACN-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine
SMILESCOc1ccc(C/N=C/C2(C#Cc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H23NO/c1-28-25-13-9-22(10-14-25)19-27-20-26(17-18-26)16-15-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h2-14,20H,17-19H2,1H3/b27-20+
InChIKeyHJTXMVQZUQRKPC-NHFJDJAPSA-N
MW365.48 g/mol
LogP5.76
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine

N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine (PubChem CID 135073672) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine
PubChem CID135073672
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine
SMILESCOc1ccc(C/N=C/C2(C#Cc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H23NO/c1-28-25-13-9-22(10-14-25)19-27-20-26(17-18-26)16-15-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h2-14,20H,17-19H2,1H3/b27-20+
InChIKeyHJTXMVQZUQRKPC-NHFJDJAPSA-N
XLogP5.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine (CID 135073672) is N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine is COc1ccc(C/N=C/C2(C#Cc3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine?
The InChIKey is HJTXMVQZUQRKPC-NHFJDJAPSA-N. The full InChI is InChI=1S/C26H23NO/c1-28-25-13-9-22(10-14-25)19-27-20-26(17-18-26)16-15-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h2-14,20H,17-19H2,1H3/b27-20+.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine?
N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine has a molecular weight of 365.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[1-[2-(4-phenylphenyl)ethynyl]cyclopropyl]methanimine is sourced from PubChem (CID 135073672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).