1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

C40H32N2 — CID 71329126

IUPAC1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3-c3ccccc3)cc2)cc1)\c1ccccc1-c1ccccc1
InChIInChI=1S/C40H32N2/c1-3-11-33(12-4-1)39-17-9-7-15-35(39)29-41-37-25-21-31(22-26-37)19-20-32-23-27-38(28-24-32)42-30-36-16-8-10-18-40(36)34-13-5-2-6-14-34/h1-18,21-30H,19-20H2/b41-29+,42-30+
InChIKeyMPZIDILCSMRZCY-ZOZONKMWSA-N
MW540.71 g/mol
LogP10.31
Rot. Bonds9

About 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine

1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (PubChem CID 71329126) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
PubChem CID71329126
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3-c3ccccc3)cc2)cc1)\c1ccccc1-c1ccccc1
InChIInChI=1S/C40H32N2/c1-3-11-33(12-4-1)39-17-9-7-15-35(39)29-41-37-25-21-31(22-26-37)19-20-32-23-27-38(28-24-32)42-30-36-16-8-10-18-40(36)34-13-5-2-6-14-34/h1-18,21-30H,19-20H2/b41-29+,42-30+
InChIKeyMPZIDILCSMRZCY-ZOZONKMWSA-N
XLogP10.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine (CID 71329126) is 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is C(=N/c1ccc(CCc2ccc(/N=C/c3ccccc3-c3ccccc3)cc2)cc1)\c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
The InChIKey is MPZIDILCSMRZCY-ZOZONKMWSA-N. The full InChI is InChI=1S/C40H32N2/c1-3-11-33(12-4-1)39-17-9-7-15-35(39)29-41-37-25-21-31(22-26-37)19-20-32-23-27-38(28-24-32)42-30-36-16-8-10-18-40(36)34-13-5-2-6-14-34/h1-18,21-30H,19-20H2/b41-29+,42-30+.
What are the key properties of 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine?
1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine has a molecular weight of 540.71 g/mol, XLogP of 10.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 71329126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).