10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C247H161N10O5P5 — CID 162177769

About 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 162177769) has the molecular formula C247H161N10O5P5 and a molecular weight of 3503.94 g/mol. Its IUPAC name is 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

• Compound Name: 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• PubChem CID: 162177769
• Molecular Formula: C247H161N10O5P5
• Molecular Weight: 3503.94 g/mol
• Exact Mass: 3501.13
• IUPAC Name: 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3c(c2)c2ccccc2n2c4ccccc4nc32)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3c4ccccc4n4c5ccccc5nc4c3c2)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3nc4c5ccccc5c5ccccc5n4c3c2)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c5ccccc5c5nc6ccccc6n5c4c3)ccc1-2
• InChI: InChI=1S/2C56H37N2OP.3C45H29N2OP/c59-60(42-21-9-3-10-22-42,43-23-11-4-12-24-43)44-31-33-47-46-32-29-39(36-50(46)56(51(47)37-44,40-17-5-1-6-18-40)41-19-7-2-8-20-41)38-30-34-53-49(35-38)45-25-13-14-26-48(45)55-57-52-27-15-16-28-54(52)58(53)55;59-60(42-21-9-3-10-22-42,43-23-11-4-12-24-43)44-31-34-47-46-32-29-38(35-50(46)56(51(47)37-44,40-17-5-1-6-18-40)41-19-7-2-8-20-41)39-30-33-48-45-25-13-14-26-49(45)55-57-52-27-15-16-28-53(52)58(55)54(48)36-39;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-38-24-11-8-20-34(38)33-19-7-10-23-37(33)43(44)30-27-28-40-42(29-30)47-41-26-14-13-22-36(41)35-21-9-12-25-39(35)45(47)46-40;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-38-23-10-8-20-34(38)33-19-7-9-22-37(33)43(44)30-27-28-35-36-21-11-13-25-41(36)47-42-26-14-12-24-40(42)46-45(47)39(35)29-30;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-37-23-10-8-20-34(37)33-19-7-9-22-36(33)43(44)30-27-28-38-39(29-30)35-21-11-13-25-41(35)47-42-26-14-12-24-40(42)46-45(38)47/h2*1-37H;3*1-29H
• InChIKey: ZOPQMRLEBRGUTH-UHFFFAOYSA-N
• XLogP: 56.15
• TPSA: 171.85 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3503.94
LogP ≤ 5	56.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The IUPAC name of 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 162177769) is 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

What is the SMILES notation for 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The canonical SMILES for 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3c(c2)c2ccccc2n2c4ccccc4nc32)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3c4ccccc4n4c5ccccc5nc4c3c2)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccc3nc4c5ccccc5c5ccccc5n4c3c2)c2ccccc2c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3c3nc5ccccc5n43)ccc1-2.O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c5ccccc5c5nc6ccccc6n5c4c3)ccc1-2.

What is the InChIKey of 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

The InChIKey is ZOPQMRLEBRGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H37N2OP.3C45H29N2OP/c59-60(42-21-9-3-10-22-42,43-23-11-4-12-24-43)44-31-33-47-46-32-29-39(36-50(46)56(51(47)37-44,40-17-5-1-6-18-40)41-19-7-2-8-20-41)38-30-34-53-49(35-38)45-25-13-14-26-48(45)55-57-52-27-15-16-28-54(52)58(53)55;59-60(42-21-9-3-10-22-42,43-23-11-4-12-24-43)44-31-34-47-46-32-29-38(35-50(46)56(51(47)37-44,40-17-5-1-6-18-40)41-19-7-2-8-20-41)39-30-33-48-45-25-13-14-26-49(45)55-57-52-27-15-16-28-53(52)58(55)54(48)36-39;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-38-24-11-8-20-34(38)33-19-7-10-23-37(33)43(44)30-27-28-40-42(29-30)47-41-26-14-13-22-36(41)35-21-9-12-25-39(35)45(47)46-40;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-38-23-10-8-20-34(38)33-19-7-9-22-37(33)43(44)30-27-28-35-36-21-11-13-25-41(36)47-42-26-14-12-24-40(42)46-45(47)39(35)29-30;48-49(31-15-3-1-4-16-31,32-17-5-2-6-18-32)44-37-23-10-8-20-34(37)33-19-7-9-22-36(33)43(44)30-27-28-38-39(29-30)35-21-11-13-25-41(35)47-42-26-14-12-24-40(42)46-45(38)47/h2*1-37H;3*1-29H.

What are the key properties of 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?

10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 3503.94 g/mol, XLogP of 56.15, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(7-diphenylphosphoryl-9,9-diphenylfluoren-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-diphenylfluoren-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-(10-diphenylphosphorylphenanthren-9-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-(10-diphenylphosphorylphenanthren-9-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;17-(10-diphenylphosphorylphenanthren-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 162177769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).