2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)

C166H100N10O10Te5 — CID 157398739

About 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)

2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione) (PubChem CID 157398739) has the molecular formula C166H100N10O10Te5 and a molecular weight of 3032.69 g/mol. Its IUPAC name is 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione).

Molecular Properties

• Compound Name: 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)
• PubChem CID: 157398739
• Molecular Formula: C166H100N10O10Te5
• Molecular Weight: 3032.69 g/mol
• Exact Mass: 3042.29
• IUPAC Name: 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)
• SMILES: O=C1/C(=C\C2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1ccc1ccccc21.O=C1/C(=C\C2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1ccc1ccccc21.O=C1C(=CC2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=CC2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=CC2=CC=C(N3c4ccccc4[Te]c4ncccc43)C2)C(=O)c2ccccc21
• InChI: InChI=1S/2C37H22N2O2Te.2C33H20N2O2Te.C26H16N2O2Te/c2*40-35-29(36(41)34-28-11-4-2-9-26(28)25-8-1-3-10-27(25)33(34)35)18-21-16-22-19-24(20-23(22)17-21)39-30-12-5-6-13-31(30)42-32-14-7-15-38-37(32)39;2*36-31-25-12-11-20-6-1-2-7-24(20)30(25)32(37)26(31)16-19-14-21-17-23(18-22(21)15-19)35-27-8-3-4-9-28(27)38-29-10-5-13-34-33(29)35;29-24-18-6-1-2-7-19(18)25(30)20(24)15-16-11-12-17(14-16)28-21-8-3-4-10-23(21)31-26-22(28)9-5-13-27-26/h2*1-16,18,20H,17,19H2;2*1-14,16,18H,15,17H2;1-13,15H,14H2/b;;2*26-16+
• InChIKey: BMWVWEFWLMORNM-PDBJOBTBSA-N
• XLogP: 26.76
• TPSA: 251.35 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3032.69
LogP ≤ 5	26.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)?

The IUPAC name of 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione) (CID 157398739) is 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione).

What is the SMILES notation for 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)?

The canonical SMILES for 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione) is O=C1/C(=C\C2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1ccc1ccccc21.O=C1/C(=C\C2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1ccc1ccccc21.O=C1C(=CC2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=CC2=CC3=C(C=C(N4c5ccccc5[Te]c5cccnc54)C3)C2)C(=O)c2c1c1ccccc1c1ccccc21.O=C1C(=CC2=CC=C(N3c4ccccc4[Te]c4ncccc43)C2)C(=O)c2ccccc21.

What is the InChIKey of 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)?

The InChIKey is BMWVWEFWLMORNM-PDBJOBTBSA-N. The full InChI is InChI=1S/2C37H22N2O2Te.2C33H20N2O2Te.C26H16N2O2Te/c2*40-35-29(36(41)34-28-11-4-2-9-26(28)25-8-1-3-10-27(25)33(34)35)18-21-16-22-19-24(20-23(22)17-21)39-30-12-5-6-13-31(30)42-32-14-7-15-38-37(32)39;2*36-31-25-12-11-20-6-1-2-7-24(20)30(25)32(37)26(31)16-19-14-21-17-23(18-22(21)15-19)35-27-8-3-4-9-28(27)38-29-10-5-13-34-33(29)35;29-24-18-6-1-2-7-19(18)25(30)20(24)15-16-11-12-17(14-16)28-21-8-3-4-10-23(21)31-26-22(28)9-5-13-27-26/h2*1-16,18,20H,17,19H2;2*1-14,16,18H,15,17H2;1-13,15H,14H2/b;;2*26-16+;.

What are the key properties of 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione)?

2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione) has a molecular weight of 3032.69 g/mol, XLogP of 26.76, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-pyrido[2,3-b][1,4]benzotellurazin-5-ylcyclopenta-1,3-dien-1-yl)methylidene]indene-1,3-dione;bis((2E)-2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[a]naphthalene-1,3-dione);bis(2-[(5-pyrido[3,2-b][1,4]benzotellurazin-10-yl-1,4-dihydropentalen-2-yl)methylidene]cyclopenta[l]phenanthrene-1,3-dione) is sourced from PubChem (CID 157398739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).