3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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

C128H80N6O6P2 — CID 165061608

About 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 165061608) has the molecular formula C128H80N6O6P2 and a molecular weight of 1860.03 g/mol. Its IUPAC name is 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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: 165061608
• Molecular Formula: C128H80N6O6P2
• Molecular Weight: 1860.03 g/mol
• Exact Mass: 1858.56
• IUPAC Name: 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/2C64H40N3O3P/c68-71(48-26-8-3-9-27-48)59-33-15-12-30-53(59)64(54-39-50-49-28-10-13-31-55(49)69-57(50)40-60(54)71)51-29-11-14-32-56(51)70-58-38-47(34-35-52(58)64)63-66-61(45-24-16-22-43(36-45)41-18-4-1-5-19-41)65-62(67-63)46-25-17-23-44(37-46)42-20-6-2-7-21-42;68-71(48-20-8-3-9-21-48)59-27-15-12-24-53(59)64(54-39-50-49-22-10-13-25-55(49)69-57(50)40-60(54)71)51-23-11-14-26-56(51)70-58-38-47(36-37-52(58)64)63-66-61(45-32-28-43(29-33-45)41-16-4-1-5-17-41)65-62(67-63)46-34-30-44(31-35-46)42-18-6-2-7-19-42/h2*1-40H
• InChIKey: RHNOYDUIWPOLME-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 156.22 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.03
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 165061608) is 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 RHNOYDUIWPOLME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H40N3O3P/c68-71(48-26-8-3-9-27-48)59-33-15-12-30-53(59)64(54-39-50-49-28-10-13-31-55(49)69-57(50)40-60(54)71)51-29-11-14-32-56(51)70-58-38-47(34-35-52(58)64)63-66-61(45-24-16-22-43(36-45)41-18-4-1-5-19-41)65-62(67-63)46-25-17-23-44(37-46)42-20-6-2-7-21-42;68-71(48-20-8-3-9-21-48)59-27-15-12-24-53(59)64(54-39-50-49-22-10-13-25-55(49)69-57(50)40-60(54)71)51-23-11-14-26-56(51)70-58-38-47(36-37-52(58)64)63-66-61(45-32-28-43(29-33-45)41-16-4-1-5-17-41)65-62(67-63)46-34-30-44(31-35-46)42-18-6-2-7-19-42/h2*1-40H.

What are the key properties of 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 1860.03 g/mol, XLogP of 29.09, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-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 165061608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).