3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide

C52H32N3O3P — CID 164736614

About 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide

3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide (PubChem CID 164736614) has the molecular formula C52H32N3O3P and a molecular weight of 777.82 g/mol. Its IUPAC name is 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide.

Molecular Properties

• Compound Name: 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide
• PubChem CID: 164736614
• Molecular Formula: C52H32N3O3P
• Molecular Weight: 777.82 g/mol
• Exact Mass: 777.22
• IUPAC Name: 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)n4)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C52H32N3O3P/c56-59(35-14-2-1-3-15-35)50-23-9-6-18-40(50)52(41-31-37-36-16-4-7-21-46(36)57-48(37)32-51(41)59)38-17-5-8-22-47(38)58-49-30-33(24-25-39(49)52)44-28-34(42-19-10-12-26-53-42)29-45(55-44)43-20-11-13-27-54-43/h1-32H
• InChIKey: PZGZKVSSVAGVPQ-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 78.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.82
LogP ≤ 5	11.21
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'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide?

The IUPAC name of 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide (CID 164736614) is 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide.

What is the SMILES notation for 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide?

The canonical SMILES for 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)n4)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide?

The InChIKey is PZGZKVSSVAGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N3O3P/c56-59(35-14-2-1-3-15-35)50-23-9-6-18-40(50)52(41-31-37-36-16-4-7-21-46(36)57-48(37)32-51(41)59)38-17-5-8-22-47(38)58-49-30-33(24-25-39(49)52)44-28-34(42-19-10-12-26-53-42)29-45(55-44)43-20-11-13-27-54-43/h1-32H.

What are the key properties of 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide?

3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide has a molecular weight of 777.82 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(4,6-dipyridin-2-yl-2-pyridinyl)-14-phenylspiro[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'-xanthene] 14-oxide is sourced from PubChem (CID 164736614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).