4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

C224H140N8O4P4 — CID 159924016

About 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene

4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (PubChem CID 159924016) has the molecular formula C224H140N8O4P4 and a molecular weight of 3131.53 g/mol. Its IUPAC name is 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

Molecular Properties

• Compound Name: 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
• PubChem CID: 159924016
• Molecular Formula: C224H140N8O4P4
• Molecular Weight: 3131.53 g/mol
• Exact Mass: 3128.99
• IUPAC Name: 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5nc43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c5ccccc5c5nc6ccccc6n5c4c3)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c5ccccc5n5c6ccccc6nc5c4c3)ccc1-2
• InChI: InChI=1S/4C56H35N2OP/c59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-44-43-30-27-37(34-50(43)56(51(44)35-40)48-22-10-7-19-41(48)42-20-8-11-23-49(42)56)36-28-31-46-47(33-36)45-21-9-13-25-53(45)58-54-26-14-12-24-52(54)57-55(46)58;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-45-44-31-28-37(34-50(44)56(51(45)35-40)48-22-10-7-19-42(48)43-20-8-11-23-49(43)56)36-27-30-41-46-21-9-13-25-53(46)58-54-26-14-12-24-52(54)57-55(58)47(41)33-36;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-31-45-44-30-27-37(34-50(44)56(51(45)35-40)48-23-11-9-20-42(48)43-21-10-12-24-49(43)56)36-28-32-53-47(33-36)41-19-7-8-22-46(41)55-57-52-25-13-14-26-54(52)58(53)55;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-45-44-30-27-36(33-50(44)56(51(45)35-40)48-23-11-9-20-42(48)43-21-10-12-24-49(43)56)37-28-31-46-41-19-7-8-22-47(41)55-57-52-25-13-14-26-53(52)58(55)54(46)34-37/h4*1-35H
• InChIKey: NYTWDBAXASVYCS-UHFFFAOYSA-N
• XLogP: 49.78
• TPSA: 137.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3131.53
LogP ≤ 5	49.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The IUPAC name of 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene (CID 159924016) is 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene.

What is the SMILES notation for 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The canonical SMILES for 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5nc43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c5ccccc5c5nc6ccccc6n5c4c3)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3ccc4c5ccccc5n5c6ccccc6nc5c4c3)ccc1-2.

What is the InChIKey of 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

The InChIKey is NYTWDBAXASVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C56H35N2OP/c59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-44-43-30-27-37(34-50(43)56(51(44)35-40)48-22-10-7-19-41(48)42-20-8-11-23-49(42)56)36-28-31-46-47(33-36)45-21-9-13-25-53(45)58-54-26-14-12-24-52(54)57-55(46)58;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-45-44-31-28-37(34-50(44)56(51(45)35-40)48-22-10-7-19-42(48)43-20-8-11-23-49(43)56)36-27-30-41-46-21-9-13-25-53(46)58-54-26-14-12-24-52(54)57-55(58)47(41)33-36;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-31-45-44-30-27-37(34-50(44)56(51(45)35-40)48-23-11-9-20-42(48)43-21-10-12-24-49(43)56)36-28-32-53-47(33-36)41-19-7-8-22-46(41)55-57-52-25-13-14-26-54(52)58(53)55;59-60(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-29-32-45-44-30-27-36(33-50(44)56(51(45)35-40)48-23-11-9-20-42(48)43-21-10-12-24-49(43)56)37-28-31-46-41-19-7-8-22-47(41)55-57-52-25-13-14-26-53(52)58(55)54(46)34-37/h4*1-35H.

What are the key properties of 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene?

4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene has a molecular weight of 3131.53 g/mol, XLogP of 49.78, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;5-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;10-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene;11-(7'-diphenylphosphoryl-9,9'-spirobi[fluorene]-2'-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 159924016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).