1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine

C30H28N2 — CID 3541936

IUPAC1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine
SMILESCc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c(C)c1
InChIInChI=1S/C30H28N2/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/h7-16H,1-6H3/b31-29+,32-30+
InChIKeyUIZYDLQUJRTNDL-JWTBXLROSA-N
MW416.57 g/mol
LogP7.95
Rot. Bonds2

About 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine

1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine (PubChem CID 3541936) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine
PubChem CID3541936
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine
SMILESCc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c(C)c1
InChIInChI=1S/C30H28N2/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/h7-16H,1-6H3/b31-29+,32-30+
InChIKeyUIZYDLQUJRTNDL-JWTBXLROSA-N
XLogP7.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine (CID 3541936) is 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine is Cc1cc(C)c(/N=C2C(=N/c3c(C)cc(C)cc3C)/c3cccc4cccc/2c34)c(C)c1.
What is the InChIKey of 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine?
The InChIKey is UIZYDLQUJRTNDL-JWTBXLROSA-N. The full InChI is InChI=1S/C30H28N2/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/h7-16H,1-6H3/b31-29+,32-30+.
What are the key properties of 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine?
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine has a molecular weight of 416.57 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine is sourced from PubChem (CID 3541936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).