N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline

C30H33N3 — CID 143856197

IUPACN-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline
SMILESCC(C)(C)c1ccc(C(NNCc2ccc(-c3ccccc3)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C30H33N3/c1-30(2,3)27-20-18-26(19-21-27)29(32-28-12-8-5-9-13-28)33-31-22-23-14-16-25(17-15-23)24-10-6-4-7-11-24/h4-21,29,31-33H,22H2,1-3H3
InChIKeyYUZFJLVIBDQGDE-UHFFFAOYSA-N
MW435.62 g/mol
LogP7.06
Rot. Bonds8

About N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline

N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline (PubChem CID 143856197) has the molecular formula C30H33N3 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline
PubChem CID143856197
Molecular FormulaC30H33N3
Molecular Weight435.62 g/mol
Exact Mass435.27
IUPAC NameN-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline
SMILESCC(C)(C)c1ccc(C(NNCc2ccc(-c3ccccc3)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C30H33N3/c1-30(2,3)27-20-18-26(19-21-27)29(32-28-12-8-5-9-13-28)33-31-22-23-14-16-25(17-15-23)24-10-6-4-7-11-24/h4-21,29,31-33H,22H2,1-3H3
InChIKeyYUZFJLVIBDQGDE-UHFFFAOYSA-N
XLogP7.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline?
The IUPAC name of N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline (CID 143856197) is N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline.
What is the SMILES notation for N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline?
The canonical SMILES for N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline is CC(C)(C)c1ccc(C(NNCc2ccc(-c3ccccc3)cc2)Nc2ccccc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline?
The InChIKey is YUZFJLVIBDQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3/c1-30(2,3)27-20-18-26(19-21-27)29(32-28-12-8-5-9-13-28)33-31-22-23-14-16-25(17-15-23)24-10-6-4-7-11-24/h4-21,29,31-33H,22H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline?
N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline has a molecular weight of 435.62 g/mol, XLogP of 7.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-[2-[(4-phenylphenyl)methyl]hydrazinyl]methyl]aniline is sourced from PubChem (CID 143856197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).