[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium

C28H20N3Tl — CID 143737738

IUPAC[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium
SMILESC=C(c1cn([Tl])cn1)c1cccc2ccc(N=C(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C28H20N3.Tl/c1-20(27-18-29-19-30-27)25-14-8-13-21-15-16-24(17-26(21)25)31-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23;/h2-19H,1H2;/q-1;+1
InChIKeySFGNWKOZCCKJDD-UHFFFAOYSA-N
MW602.87 g/mol
LogP6.20
Rot. Bonds5

About [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium

[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium (PubChem CID 143737738) has the molecular formula C28H20N3Tl and a molecular weight of 602.87 g/mol. Its IUPAC name is [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium.

Molecular Properties

Compound Name[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium
PubChem CID143737738
Molecular FormulaC28H20N3Tl
Molecular Weight602.87 g/mol
Exact Mass603.14
IUPAC Name[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium
SMILESC=C(c1cn([Tl])cn1)c1cccc2ccc(N=C(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C28H20N3.Tl/c1-20(27-18-29-19-30-27)25-14-8-13-21-15-16-24(17-26(21)25)31-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23;/h2-19H,1H2;/q-1;+1
InChIKeySFGNWKOZCCKJDD-UHFFFAOYSA-N
XLogP6.20
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.87
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium?
The IUPAC name of [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium (CID 143737738) is [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium.
What is the SMILES notation for [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium?
The canonical SMILES for [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium is C=C(c1cn([Tl])cn1)c1cccc2ccc(N=C(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium?
The InChIKey is SFGNWKOZCCKJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N3.Tl/c1-20(27-18-29-19-30-27)25-14-8-13-21-15-16-24(17-26(21)25)31-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23;/h2-19H,1H2;/q-1;+1.
What are the key properties of [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium?
[4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium has a molecular weight of 602.87 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[7-(benzhydrylideneamino)naphthalen-1-yl]ethenyl]imidazol-1-yl]thallium is sourced from PubChem (CID 143737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).