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

C142H81N5O11S2Se7 — CID 158493775

IUPAC2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2ccccc21
InChIInChI=1S/C30H17NO3Se.C30H17NO2SSe.C30H17NO2Se2.C26H15NO2SSe.C26H15NO2Se2/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;32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(34-20)31-24-9-3-5-11-26(24)35-27-12-6-4-10-25(27)31;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;28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(30-16)27-20-9-3-5-11-22(20)31-23-12-6-4-10-21(23)27/h3*1-17H;2*1-15H
InChIKeyHJAHCXCLSJMWMA-UHFFFAOYSA-N
MW2650.09 g/mol
LogP28.81
Rot. Bonds10

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

2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158493775) has the molecular formula C142H81N5O11S2Se7 and a molecular weight of 2650.09 g/mol. Its IUPAC name is 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID158493775
Molecular FormulaC142H81N5O11S2Se7
Molecular Weight2650.09 g/mol
Exact Mass2654.95
IUPAC Name2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESO=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2ccccc21
InChIInChI=1S/C30H17NO3Se.C30H17NO2SSe.C30H17NO2Se2.C26H15NO2SSe.C26H15NO2Se2/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;32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(34-20)31-24-9-3-5-11-26(24)35-27-12-6-4-10-25(27)31;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;28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(30-16)27-20-9-3-5-11-22(20)31-23-12-6-4-10-21(23)27/h3*1-17H;2*1-15H
InChIKeyHJAHCXCLSJMWMA-UHFFFAOYSA-N
XLogP28.81
TPSA196.13 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002650.09
LogP ≤ 528.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158493775) is 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is HJAHCXCLSJMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NO3Se.C30H17NO2SSe.C30H17NO2Se2.C26H15NO2SSe.C26H15NO2Se2/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;32-29-21-15-18-7-1-2-8-19(18)16-22(21)30(33)23(29)17-20-13-14-28(34-20)31-24-9-3-5-11-26(24)35-27-12-6-4-10-25(27)31;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;28-25-17-7-1-2-8-18(17)26(29)19(25)15-16-13-14-24(30-16)27-20-9-3-5-11-22(20)31-23-12-6-4-10-21(23)27/h3*1-17H;2*1-15H.
What are the key properties of 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2650.09 g/mol, XLogP of 28.81, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]indene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158493775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).