N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline

C26H26N2O — CID 7730745

IUPACN-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
SMILESCc1ccc2/c(=N\Nc3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C26H26N2O/c1-18-10-15-22-23(28-27-21-8-6-5-7-9-21)17-24(29-25(22)16-18)19-11-13-20(14-12-19)26(2,3)4/h5-17,27H,1-4H3/b28-23-
InChIKeyGVDIPQOOSKMADP-NFFVHWSESA-N
MW382.51 g/mol
LogP6.63
Rot. Bonds3

About N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline

N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline (PubChem CID 7730745) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
PubChem CID7730745
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
SMILESCc1ccc2/c(=N\Nc3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C26H26N2O/c1-18-10-15-22-23(28-27-21-8-6-5-7-9-21)17-24(29-25(22)16-18)19-11-13-20(14-12-19)26(2,3)4/h5-17,27H,1-4H3/b28-23-
InChIKeyGVDIPQOOSKMADP-NFFVHWSESA-N
XLogP6.63
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline (CID 7730745) is N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline is Cc1ccc2/c(=N\Nc3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1.
What is the InChIKey of N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline?
The InChIKey is GVDIPQOOSKMADP-NFFVHWSESA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-10-15-22-23(28-27-21-8-6-5-7-9-21)17-24(29-25(22)16-18)19-11-13-20(14-12-19)26(2,3)4/h5-17,27H,1-4H3/b28-23-.
What are the key properties of N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline?
N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline has a molecular weight of 382.51 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline is sourced from PubChem (CID 7730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).