3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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

C162H100N9O6P3S3 — CID 164971207

About 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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 164971207) has the molecular formula C162H100N9O6P3S3 and a molecular weight of 2457.76 g/mol. Its IUPAC name is 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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: 164971207
• Molecular Formula: C162H100N9O6P3S3
• Molecular Weight: 2457.76 g/mol
• Exact Mass: 2455.62
• IUPAC Name: 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)sc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c2cc3c(cc21)sc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c2cc3c(cc21)sc1ccccc13
• InChI: InChI=1S/C58H36N3O2PS.2C52H32N3O2PS/c62-64(42-23-8-3-9-24-42)51-29-14-12-27-47(51)58(48-35-44-43-25-10-15-30-53(43)65-54(44)36-52(48)64)45-26-11-13-28-49(45)63-50-34-40(31-32-46(50)58)39-21-16-22-41(33-39)57-60-55(37-17-4-1-5-18-37)59-56(61-57)38-19-6-2-7-20-38;56-58(36-20-8-3-9-21-36)45-26-14-12-24-41(45)52(42-31-38-37-22-10-15-27-47(37)59-48(38)32-46(42)58)39-23-11-13-25-43(39)57-44-30-35(28-29-40(44)52)51-54-49(33-16-4-1-5-17-33)53-50(55-51)34-18-6-2-7-19-34;56-58(35-14-2-1-3-15-35)48-22-8-6-18-40(48)52(41-31-37-36-16-4-9-23-50(36)59-51(37)32-49(41)58)38-17-5-7-21-46(38)57-47-30-33(24-25-39(47)52)34-28-44(42-19-10-12-26-53-42)55-45(29-34)43-20-11-13-27-54-43/h1-36H;2*1-32H
• InChIKey: DDMFAZOHKPMXJU-UHFFFAOYSA-N
• XLogP: 36.71
• TPSA: 194.91 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.76
LogP ≤ 5	36.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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 164971207) is 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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)nc(-c5ccccn5)c4)ccc32)c2cc3c(cc21)sc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc32)c2cc3c(cc21)sc1ccccc13.O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3Oc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c2cc3c(cc21)sc1ccccc13.

What is the InChIKey of 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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 DDMFAZOHKPMXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N3O2PS.2C52H32N3O2PS/c62-64(42-23-8-3-9-24-42)51-29-14-12-27-47(51)58(48-35-44-43-25-10-15-30-53(43)65-54(44)36-52(48)64)45-26-11-13-28-49(45)63-50-34-40(31-32-46(50)58)39-21-16-22-41(33-39)57-60-55(37-17-4-1-5-18-37)59-56(61-57)38-19-6-2-7-20-38;56-58(36-20-8-3-9-21-36)45-26-14-12-24-41(45)52(42-31-38-37-22-10-15-27-47(37)59-48(38)32-46(42)58)39-23-11-13-25-43(39)57-44-30-35(28-29-40(44)52)51-54-49(33-16-4-1-5-17-33)53-50(55-51)34-18-6-2-7-19-34;56-58(35-14-2-1-3-15-35)48-22-8-6-18-40(48)52(41-31-37-36-16-4-9-23-50(36)59-51(37)32-49(41)58)38-17-5-7-21-46(38)57-47-30-33(24-25-39(47)52)34-28-44(42-19-10-12-26-53-42)55-45(29-34)43-20-11-13-27-54-43/h1-36H;2*1-32H.

What are the key properties of 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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 2457.76 g/mol, XLogP of 36.71, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenylspiro[10-thia-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-diphenyl-1,3,5-triazin-2-yl)-14-phenylspiro[10-thia-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'-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenylspiro[10-thia-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 164971207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).