3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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

C186H117N12O6P3S — CID 165029336

About 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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

3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 165029336) has the molecular formula C186H117N12O6P3S and a molecular weight of 2741.05 g/mol. Its IUPAC name is 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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.

Molecular Properties

• Compound Name: 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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: 165029336
• Molecular Formula: C186H117N12O6P3S
• Molecular Weight: 2741.05 g/mol
• Exact Mass: 2738.82
• IUPAC Name: 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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
• SMILES: O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)ccc32)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C64H39N4O2PS.C64H41N4O2P.C58H37N4O2P/c69-71(44-22-8-3-9-23-44)57-30-16-13-27-51(57)64(52-38-47-45-24-10-15-29-55(45)70-56(47)39-58(52)71)49-26-12-14-28-53(49)68(43-20-6-2-7-21-43)54-37-42(32-34-50(54)64)63-66-61(40-18-4-1-5-19-40)65-62(67-63)41-33-35-60-48(36-41)46-25-11-17-31-59(46)72-60;69-71(48-28-11-4-12-29-48)59-35-18-15-32-53(59)64(54-40-50-49-30-13-17-34-57(49)70-58(50)41-60(54)71)51-31-14-16-33-55(51)68(47-26-9-3-10-27-47)56-39-45(36-37-52(56)64)44-24-19-25-46(38-44)63-66-61(42-20-5-1-6-21-42)65-62(67-63)43-22-7-2-8-23-43;63-65(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/h1-39H;1-41H;1-37H
• InChIKey: MJWNLFWZQWGFMX-UHFFFAOYSA-N
• XLogP: 42.71
• TPSA: 216.36 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2741.05
LogP ≤ 5	42.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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?

The IUPAC name of 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 (CID 165029336) is 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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.

What is the SMILES notation for 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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?

The canonical SMILES for 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 is O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c2cc3c(cc21)oc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)ccc32)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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?

The InChIKey is MJWNLFWZQWGFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N4O2PS.C64H41N4O2P.C58H37N4O2P/c69-71(44-22-8-3-9-23-44)57-30-16-13-27-51(57)64(52-38-47-45-24-10-15-29-55(45)70-56(47)39-58(52)71)49-26-12-14-28-53(49)68(43-20-6-2-7-21-43)54-37-42(32-34-50(54)64)63-66-61(40-18-4-1-5-19-40)65-62(67-63)41-33-35-60-48(36-41)46-25-11-17-31-59(46)72-60;69-71(48-28-11-4-12-29-48)59-35-18-15-32-53(59)64(54-40-50-49-30-13-17-34-57(49)70-58(50)41-60(54)71)51-31-14-16-33-55(51)68(47-26-9-3-10-27-47)56-39-45(36-37-52(56)64)44-24-19-25-46(38-44)63-66-61(42-20-5-1-6-21-42)65-62(67-63)43-22-7-2-8-23-43;63-65(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/h1-39H;1-41H;1-37H.

What are the key properties of 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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?

3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 2741.05 g/mol, XLogP of 42.71, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 is sourced from PubChem (CID 165029336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).