2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C36H27NO2Te — CID 155620779

IUPAC2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4C4(CCCCC4)c4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C36H27NO2Te/c38-34-26-20-23-10-2-3-11-24(23)21-27(26)35(39)28(34)22-25-16-17-33(40-25)37-31-14-6-4-12-29(31)36(18-8-1-9-19-36)30-13-5-7-15-32(30)37/h2-7,10-17,20-22H,1,8-9,18-19H2
InChIKeyHKWZGYZKSBGQHP-UHFFFAOYSA-N
MW633.22 g/mol
LogP8.39
Rot. Bonds2

About 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 155620779) has the molecular formula C36H27NO2Te and a molecular weight of 633.22 g/mol. Its IUPAC name is 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID155620779
Molecular FormulaC36H27NO2Te
Molecular Weight633.22 g/mol
Exact Mass635.11
IUPAC Name2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4C4(CCCCC4)c4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C36H27NO2Te/c38-34-26-20-23-10-2-3-11-24(23)21-27(26)35(39)28(34)22-25-16-17-33(40-25)37-31-14-6-4-12-29(31)36(18-8-1-9-19-36)30-13-5-7-15-32(30)37/h2-7,10-17,20-22H,1,8-9,18-19H2
InChIKeyHKWZGYZKSBGQHP-UHFFFAOYSA-N
XLogP8.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.22
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 155620779) is 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2ccc(N3c4ccccc4C4(CCCCC4)c4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is HKWZGYZKSBGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NO2Te/c38-34-26-20-23-10-2-3-11-24(23)21-27(26)35(39)28(34)22-25-16-17-33(40-25)37-31-14-6-4-12-29(31)36(18-8-1-9-19-36)30-13-5-7-15-32(30)37/h2-7,10-17,20-22H,1,8-9,18-19H2.
What are the key properties of 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 633.22 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-spiro[acridine-9,1'-cyclohexane]-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 155620779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).