N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine

C30H30N2 — CID 71123585

IUPACN-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine
SMILESCc1cc(C)c(/N=C2\c3cccc4cccc(c34)C2Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H30N2/c1-17-13-19(3)27(20(4)14-17)31-29-24-11-7-9-23-10-8-12-25(26(23)24)30(29)32-28-21(5)15-18(2)16-22(28)6/h7-16,29,31H,1-6H3/b32-30+
InChIKeyXHDSTVHDAULXAD-NHQGMKOOSA-N
MW418.58 g/mol
LogP7.98
Rot. Bonds3

About N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine

N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine (PubChem CID 71123585) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine
PubChem CID71123585
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC NameN-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine
SMILESCc1cc(C)c(/N=C2\c3cccc4cccc(c34)C2Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H30N2/c1-17-13-19(3)27(20(4)14-17)31-29-24-11-7-9-23-10-8-12-25(26(23)24)30(29)32-28-21(5)15-18(2)16-22(28)6/h7-16,29,31H,1-6H3/b32-30+
InChIKeyXHDSTVHDAULXAD-NHQGMKOOSA-N
XLogP7.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.98
H-Bond Donors ≤ 51
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 N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine?
The IUPAC name of N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine (CID 71123585) is N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine is Cc1cc(C)c(/N=C2\c3cccc4cccc(c34)C2Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine?
The InChIKey is XHDSTVHDAULXAD-NHQGMKOOSA-N. The full InChI is InChI=1S/C30H30N2/c1-17-13-19(3)27(20(4)14-17)31-29-24-11-7-9-23-10-8-12-25(26(23)24)30(29)32-28-21(5)15-18(2)16-22(28)6/h7-16,29,31H,1-6H3/b32-30+.
What are the key properties of N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine?
N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine has a molecular weight of 418.58 g/mol, XLogP of 7.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-2-(2,4,6-trimethylphenyl)imino-1H-acenaphthylen-1-amine is sourced from PubChem (CID 71123585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).