4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine

C58H67N3 — CID 134597488

IUPAC4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine
SMILESCCCN(c1ccc(C(c2ccc(N(CCC)c3c(C)cc(C)cc3C)cc2)c2ccc(NCc3ccc(C(C)CC)cc3)c3ccccc23)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C58H67N3/c1-11-32-60(57-42(7)34-39(4)35-43(57)8)50-26-22-48(23-27-50)56(49-24-28-51(29-25-49)61(33-12-2)58-44(9)36-40(5)37-45(58)10)54-30-31-55(53-17-15-14-16-52(53)54)59-38-46-18-20-47(21-19-46)41(6)13-3/h14-31,34-37,41,56,59H,11-13,32-33,38H2,1-10H3
InChIKeyHUQMCEKAYPCZNQ-UHFFFAOYSA-N
MW806.20 g/mol
LogP16.09
Rot. Bonds16

About 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine

4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine (PubChem CID 134597488) has the molecular formula C58H67N3 and a molecular weight of 806.20 g/mol. Its IUPAC name is 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine
PubChem CID134597488
Molecular FormulaC58H67N3
Molecular Weight806.20 g/mol
Exact Mass805.53
IUPAC Name4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine
SMILESCCCN(c1ccc(C(c2ccc(N(CCC)c3c(C)cc(C)cc3C)cc2)c2ccc(NCc3ccc(C(C)CC)cc3)c3ccccc23)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C58H67N3/c1-11-32-60(57-42(7)34-39(4)35-43(57)8)50-26-22-48(23-27-50)56(49-24-28-51(29-25-49)61(33-12-2)58-44(9)36-40(5)37-45(58)10)54-30-31-55(53-17-15-14-16-52(53)54)59-38-46-18-20-47(21-19-46)41(6)13-3/h14-31,34-37,41,56,59H,11-13,32-33,38H2,1-10H3
InChIKeyHUQMCEKAYPCZNQ-UHFFFAOYSA-N
XLogP16.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.20
LogP ≤ 516.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine?
The IUPAC name of 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine (CID 134597488) is 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine is CCCN(c1ccc(C(c2ccc(N(CCC)c3c(C)cc(C)cc3C)cc2)c2ccc(NCc3ccc(C(C)CC)cc3)c3ccccc23)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine?
The InChIKey is HUQMCEKAYPCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H67N3/c1-11-32-60(57-42(7)34-39(4)35-43(57)8)50-26-22-48(23-27-50)56(49-24-28-51(29-25-49)61(33-12-2)58-44(9)36-40(5)37-45(58)10)54-30-31-55(53-17-15-14-16-52(53)54)59-38-46-18-20-47(21-19-46)41(6)13-3/h14-31,34-37,41,56,59H,11-13,32-33,38H2,1-10H3.
What are the key properties of 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine?
4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine has a molecular weight of 806.20 g/mol, XLogP of 16.09, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 134597488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).