2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C28H28N4 — CID 122223639

IUPAC2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILES[H]/N=C(\c1ccccc1)c1ccc2ccc(/C(=N/[H])c3ccccc3)c(N(C)C)c2c1N(C)C
InChIInChI=1S/C28H28N4/c1-31(2)27-22(25(29)20-11-7-5-8-12-20)17-15-19-16-18-23(28(24(19)27)32(3)4)26(30)21-13-9-6-10-14-21/h5-18,29-30H,1-4H3/b29-25+,30-26+
InChIKeyPTYSZZFOTQTQTN-XDHTVYJESA-N
MW420.56 g/mol
LogP5.80
Rot. Bonds6

About 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 122223639) has the molecular formula C28H28N4 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID122223639
Molecular FormulaC28H28N4
Molecular Weight420.56 g/mol
Exact Mass420.23
IUPAC Name2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILES[H]/N=C(\c1ccccc1)c1ccc2ccc(/C(=N/[H])c3ccccc3)c(N(C)C)c2c1N(C)C
InChIInChI=1S/C28H28N4/c1-31(2)27-22(25(29)20-11-7-5-8-12-20)17-15-19-16-18-23(28(24(19)27)32(3)4)26(30)21-13-9-6-10-14-21/h5-18,29-30H,1-4H3/b29-25+,30-26+
InChIKeyPTYSZZFOTQTQTN-XDHTVYJESA-N
XLogP5.80
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 122223639) is 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is [H]/N=C(\c1ccccc1)c1ccc2ccc(/C(=N/[H])c3ccccc3)c(N(C)C)c2c1N(C)C.
What is the InChIKey of 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is PTYSZZFOTQTQTN-XDHTVYJESA-N. The full InChI is InChI=1S/C28H28N4/c1-31(2)27-22(25(29)20-11-7-5-8-12-20)17-15-19-16-18-23(28(24(19)27)32(3)4)26(30)21-13-9-6-10-14-21/h5-18,29-30H,1-4H3/b29-25+,30-26+.
What are the key properties of 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 420.56 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(benzenecarboximidoyl)-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 122223639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).