12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine

C79H50N2O2Se — CID 140764957

About 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine

12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine (PubChem CID 140764957) has the molecular formula C79H50N2O2Se and a molecular weight of 1138.24 g/mol. Its IUPAC name is 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine.

Molecular Properties

• Compound Name: 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine
• PubChem CID: 140764957
• Molecular Formula: C79H50N2O2Se
• Molecular Weight: 1138.24 g/mol
• Exact Mass: 1138.30
• IUPAC Name: 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc6ccccc6c35)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5c3oc3ccccc35)C43c4ccccc4[Se]c4ccccc43)cc2)cc1
• InChI: InChI=1S/C79H50N2O2Se/c1-5-21-51(22-6-1)54-37-43-58(44-38-54)80(57-27-11-4-12-28-57)67-49-65-75(77-73(67)61-29-13-17-33-69(61)82-77)76-66(79(65)63-31-15-19-35-71(63)84-72-36-20-16-32-64(72)79)50-68(74-62-30-14-18-34-70(62)83-78(74)76)81(59-45-39-55(40-46-59)52-23-7-2-8-24-52)60-47-41-56(42-48-60)53-25-9-3-10-26-53/h1-50H
• InChIKey: OZCRUPFJSFKXMK-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.24
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine?

The IUPAC name of 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine (CID 140764957) is 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine.

What is the SMILES notation for 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine?

The canonical SMILES for 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(c5oc6ccccc6c35)-c3c(cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5c3oc3ccccc35)C43c4ccccc4[Se]c4ccccc43)cc2)cc1.

What is the InChIKey of 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine?

The InChIKey is OZCRUPFJSFKXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H50N2O2Se/c1-5-21-51(22-6-1)54-37-43-58(44-38-54)80(57-27-11-4-12-28-57)67-49-65-75(77-73(67)61-29-13-17-33-69(61)82-77)76-66(79(65)63-31-15-19-35-71(63)84-72-36-20-16-32-64(72)79)50-68(74-62-30-14-18-34-70(62)83-78(74)76)81(59-45-39-55(40-46-59)52-23-7-2-8-24-52)60-47-41-56(42-48-60)53-25-9-3-10-26-53/h1-50H.

What are the key properties of 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine?

12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine has a molecular weight of 1138.24 g/mol, XLogP of 19.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-N-phenyl-12-N,18-N,18-N-tris(4-phenylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-selenoxanthene]-12,18-diamine is sourced from PubChem (CID 140764957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).