3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide

C58H37N4O2P — CID 164736441

About 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide

3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide (PubChem CID 164736441) has the molecular formula C58H37N4O2P and a molecular weight of 852.93 g/mol. Its IUPAC name is 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide.

Molecular Properties

• Compound Name: 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
• PubChem CID: 164736441
• Molecular Formula: C58H37N4O2P
• Molecular Weight: 852.93 g/mol
• Exact Mass: 852.27
• IUPAC Name: 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C58H37N4O2P/c63-65(41-19-5-2-6-20-41)56-28-12-9-23-46(56)58(47-36-43-42-21-7-11-27-54(42)64-55(43)37-57(47)65)44-22-8-10-26-52(44)62(40-17-3-1-4-18-40)53-35-38(29-30-45(53)58)39-33-50(48-24-13-15-31-59-48)61-51(34-39)49-25-14-16-32-60-49/h1-37H
• InChIKey: GCRXZYJKKNPZDI-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.93
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The IUPAC name of 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide (CID 164736441) is 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide.

What is the SMILES notation for 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The canonical SMILES for 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

The InChIKey is GCRXZYJKKNPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N4O2P/c63-65(41-19-5-2-6-20-41)56-28-12-9-23-46(56)58(47-36-43-42-21-7-11-27-54(42)64-55(43)37-57(47)65)44-22-8-10-26-52(44)62(40-17-3-1-4-18-40)53-35-38(29-30-45(53)58)39-33-50(48-24-13-15-31-59-48)61-51(34-39)49-25-14-16-32-60-49/h1-37H.

What are the key properties of 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide?

3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide has a molecular weight of 852.93 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(2,6-dipyridin-2-yl-4-pyridinyl)-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide is sourced from PubChem (CID 164736441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).