2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione

C112H64N4O10S2Te4 — CID 163877138

IUPAC2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2ccccc21
InChIInChI=1S/C30H17NO3Te.C30H17NO2STe.C26H15NO3Te.C26H15NO2STe/c2*32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(35-20)31-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)31;2*28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(31-16)27-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)27/h2*1-17H;2*1-15H
InChIKeyPPWFDLAHXMIRRC-UHFFFAOYSA-N
MW2200.30 g/mol
LogP26.15
Rot. Bonds8

About 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione

2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione (PubChem CID 163877138) has the molecular formula C112H64N4O10S2Te4 and a molecular weight of 2200.30 g/mol. Its IUPAC name is 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione
PubChem CID163877138
Molecular FormulaC112H64N4O10S2Te4
Molecular Weight2200.30 g/mol
Exact Mass2208.03
IUPAC Name2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2ccccc21
InChIInChI=1S/C30H17NO3Te.C30H17NO2STe.C26H15NO3Te.C26H15NO2STe/c2*32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(35-20)31-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)31;2*28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(31-16)27-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)27/h2*1-17H;2*1-15H
InChIKeyPPWFDLAHXMIRRC-UHFFFAOYSA-N
XLogP26.15
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.30
LogP ≤ 526.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione (CID 163877138) is 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione is O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[te]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[te]2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione?
The InChIKey is PPWFDLAHXMIRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO3Te.C30H17NO2STe.C26H15NO3Te.C26H15NO2STe/c2*32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(35-20)31-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)31;2*28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(31-16)27-20-9-3-5-11-22(20)30-23-12-6-4-10-21(23)27/h2*1-17H;2*1-15H.
What are the key properties of 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione?
2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione has a molecular weight of 2200.30 g/mol, XLogP of 26.15, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoxazin-10-yltellurophen-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 163877138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).