(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione

C162H91N5O11S2Se7 — CID 157195880

IUPAC(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione
SMILESO=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C34H19NO3Se.C34H19NO2SSe.C34H19NO2Se2.C30H17NO2SSe.C30H17NO2Se2/c2*36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(39-20)35-26-13-5-7-15-28(26)38-29-16-8-6-14-27(29)35;36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(38-20)35-26-13-5-7-15-28(26)39-29-16-8-6-14-27(29)35;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(35-19)31-23-9-3-5-11-25(23)34-26-12-6-4-10-24(26)31;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(34-19)31-23-9-3-5-11-25(23)35-26-12-6-4-10-24(26)31/h3*1-19H;2*1-17H/b;;;2*22-17+
InChIKeyAQFZYEZRDLOCKD-SXXHMGFWSA-N
MW2900.39 g/mol
LogP34.58
Rot. Bonds10

About (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione

(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione (PubChem CID 157195880) has the molecular formula C162H91N5O11S2Se7 and a molecular weight of 2900.39 g/mol. Its IUPAC name is (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione.

Molecular Properties

Compound Name(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione
PubChem CID157195880
Molecular FormulaC162H91N5O11S2Se7
Molecular Weight2900.39 g/mol
Exact Mass2905.03
IUPAC Name(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione
SMILESO=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C34H19NO3Se.C34H19NO2SSe.C34H19NO2Se2.C30H17NO2SSe.C30H17NO2Se2/c2*36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(39-20)35-26-13-5-7-15-28(26)38-29-16-8-6-14-27(29)35;36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(38-20)35-26-13-5-7-15-28(26)39-29-16-8-6-14-27(29)35;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(35-19)31-23-9-3-5-11-25(23)34-26-12-6-4-10-24(26)31;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(34-19)31-23-9-3-5-11-25(23)35-26-12-6-4-10-24(26)31/h3*1-19H;2*1-17H/b;;;2*22-17+
InChIKeyAQFZYEZRDLOCKD-SXXHMGFWSA-N
XLogP34.58
TPSA196.13 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002900.39
LogP ≤ 534.58
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione?
The IUPAC name of (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione (CID 157195880) is (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione.
What is the SMILES notation for (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione?
The canonical SMILES for (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione is O=C1/C(=C\c2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1/C(=C\c2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1ccc1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Oc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4Sc4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=Cc2ccc(N3c4ccccc4[Se]c4ccccc43)[se]2)C(=O)c2c1c1ccccc1c1ccccc21.
What is the InChIKey of (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione?
The InChIKey is AQFZYEZRDLOCKD-SXXHMGFWSA-N. The full InChI is InChI=1S/C34H19NO3Se.C34H19NO2SSe.C34H19NO2Se2.C30H17NO2SSe.C30H17NO2Se2/c2*36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(39-20)35-26-13-5-7-15-28(26)38-29-16-8-6-14-27(29)35;36-33-25(34(37)32-24-12-4-2-10-22(24)21-9-1-3-11-23(21)31(32)33)19-20-17-18-30(38-20)35-26-13-5-7-15-28(26)39-29-16-8-6-14-27(29)35;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(35-19)31-23-9-3-5-11-25(23)34-26-12-6-4-10-24(26)31;32-29-21-15-13-18-7-1-2-8-20(18)28(21)30(33)22(29)17-19-14-16-27(34-19)31-23-9-3-5-11-25(23)35-26-12-6-4-10-24(26)31/h3*1-19H;2*1-17H/b;;;2*22-17+.
What are the key properties of (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione?
(2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione has a molecular weight of 2900.39 g/mol, XLogP of 34.58, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenoselenazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;(2E)-2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione;2-[(5-phenothiazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione;2-[(5-phenoxazin-10-ylselenophen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione is sourced from PubChem (CID 157195880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).