1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine

C34H24N2 — CID 129256978

IUPAC1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccc(-c2cccc3ccccc23)cc1)\c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H24N2/c35-33(27-19-15-25(16-20-27)31-13-5-9-23-7-1-3-11-29(23)31)34(36)28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-22,35-36H/b35-33+,36-34+
InChIKeySAYVIJDACJXMGA-LBYUQGKWSA-N
MW460.58 g/mol
LogP8.76
Rot. Bonds5

About 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine

1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine (PubChem CID 129256978) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine.

Molecular Properties

Compound Name1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
PubChem CID129256978
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
SMILES[H]/N=C(C(=N/[H])/c1ccc(-c2cccc3ccccc23)cc1)\c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H24N2/c35-33(27-19-15-25(16-20-27)31-13-5-9-23-7-1-3-11-29(23)31)34(36)28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-22,35-36H/b35-33+,36-34+
InChIKeySAYVIJDACJXMGA-LBYUQGKWSA-N
XLogP8.76
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.76
H-Bond Donors ≤ 52
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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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
CID 144816380
N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide
CID 143316965
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
benzenecarboximidoyl 4-[2-[2-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)phenyl]phenyl]benzenecarboximidate
CID 143952747
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
CID 145073064
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine?
The IUPAC name of 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine (CID 129256978) is 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine.
What is the SMILES notation for 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine?
The canonical SMILES for 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine is [H]/N=C(C(=N/[H])/c1ccc(-c2cccc3ccccc23)cc1)\c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine?
The InChIKey is SAYVIJDACJXMGA-LBYUQGKWSA-N. The full InChI is InChI=1S/C34H24N2/c35-33(27-19-15-25(16-20-27)31-13-5-9-23-7-1-3-11-29(23)31)34(36)28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-22,35-36H/b35-33+,36-34+.
What are the key properties of 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine?
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine has a molecular weight of 460.58 g/mol, XLogP of 8.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine is sourced from PubChem (CID 129256978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).