N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline

C30H28N2 — CID 155196477

IUPACN-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline
SMILESC=CC(C)(C)c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2/c1-4-30(2,3)26-20-22-28(23-21-26)32(27-18-12-7-13-19-27)31-29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h4-23H,1H2,2-3H3
InChIKeyZHDIBKGZBBXXMB-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.74
Rot. Bonds7

About N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline

N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline (PubChem CID 155196477) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline
PubChem CID155196477
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC NameN-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline
SMILESC=CC(C)(C)c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28N2/c1-4-30(2,3)26-20-22-28(23-21-26)32(27-18-12-7-13-19-27)31-29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h4-23H,1H2,2-3H3
InChIKeyZHDIBKGZBBXXMB-UHFFFAOYSA-N
XLogP7.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline?
The IUPAC name of N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline (CID 155196477) is N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline.
What is the SMILES notation for N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline?
The canonical SMILES for N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline is C=CC(C)(C)c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline?
The InChIKey is ZHDIBKGZBBXXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-4-30(2,3)26-20-22-28(23-21-26)32(27-18-12-7-13-19-27)31-29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h4-23H,1H2,2-3H3.
What are the key properties of N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline?
N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline has a molecular weight of 416.57 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4-(2-methylbut-3-en-2-yl)-N-phenylaniline is sourced from PubChem (CID 155196477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).