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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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

C175H113N14O2P5Se3 — CID 162152273

About 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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

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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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 (PubChem CID 162152273) has the molecular formula C175H113N14O2P5Se3 and a molecular weight of 2835.67 g/mol. Its IUPAC name is 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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.

Molecular Properties

• Compound Name: 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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
• PubChem CID: 162152273
• Molecular Formula: C175H113N14O2P5Se3
• Molecular Weight: 2835.67 g/mol
• Exact Mass: 2836.54
• IUPAC Name: 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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
• SMILES: O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21.O=P(c1ccccc1)(c1cccnc1)c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21.[Se]=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c3ccccc3n3c4ccccc4nc3c2c1.[Se]=P(c1ccc2cccnc2c1)(c1ccc2c3ccccc3n3c4ccccc4nc3c2c1)c1ccnc2ccccc12.[Se]=P(c1ccccc1)(c1cccnc1)c1ccc2c3ccccc3n3c4ccccc4nc3c2c1
• InChI: InChI=1S/C39H25N2OP.C39H25N2PSe.C37H23N4PSe.C30H20N3OP.C30H20N3PSe/c42-43(30-19-17-26-9-1-3-11-28(26)23-30,31-20-18-27-10-2-4-12-29(27)24-31)32-21-22-34-35(25-32)33-13-5-7-15-37(33)41-38-16-8-6-14-36(38)40-39(34)41;43-42(30-19-17-26-9-1-3-11-28(26)23-30,31-20-18-27-10-2-4-12-29(27)24-31)32-21-22-33-34-13-5-7-15-37(34)41-38-16-8-6-14-36(38)40-39(41)35(33)25-32;43-42(26-16-15-24-8-7-20-38-33(24)23-26,36-19-21-39-31-11-3-1-10-29(31)36)25-17-18-27-28-9-2-5-13-34(28)41-35-14-6-4-12-32(35)40-37(41)30(27)22-25;34-35(21-9-2-1-3-10-21,23-11-8-18-31-20-23)22-16-17-25-26(19-22)24-12-4-6-14-28(24)33-29-15-7-5-13-27(29)32-30(25)33;35-34(21-9-2-1-3-10-21,23-11-8-18-31-20-23)22-16-17-24-25-12-4-6-14-28(25)33-29-15-7-5-13-27(29)32-30(33)26(24)19-22/h2*1-25H;1-23H;2*1-20H
• InChIKey: ZLJHNZFSPBLCDJ-UHFFFAOYSA-N
• XLogP: 35.88
• TPSA: 172.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2835.67
LogP ≤ 5	35.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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?

The IUPAC name of 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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 (CID 162152273) is 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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.

What is the SMILES notation for 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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?

The canonical SMILES for 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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 is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21.O=P(c1ccccc1)(c1cccnc1)c1ccc2c(c1)c1ccccc1n1c3ccccc3nc21.[Se]=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2c3ccccc3n3c4ccccc4nc3c2c1.[Se]=P(c1ccc2cccnc2c1)(c1ccc2c3ccccc3n3c4ccccc4nc3c2c1)c1ccnc2ccccc12.[Se]=P(c1ccccc1)(c1cccnc1)c1ccc2c3ccccc3n3c4ccccc4nc3c2c1.

What is the InChIKey of 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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?

The InChIKey is ZLJHNZFSPBLCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N2OP.C39H25N2PSe.C37H23N4PSe.C30H20N3OP.C30H20N3PSe/c42-43(30-19-17-26-9-1-3-11-28(26)23-30,31-20-18-27-10-2-4-12-29(27)24-31)32-21-22-34-35(25-32)33-13-5-7-15-37(33)41-38-16-8-6-14-36(38)40-39(34)41;43-42(30-19-17-26-9-1-3-11-28(26)23-30,31-20-18-27-10-2-4-12-29(27)24-31)32-21-22-33-34-13-5-7-15-37(34)41-38-16-8-6-14-36(38)40-39(41)35(33)25-32;43-42(26-16-15-24-8-7-20-38-33(24)23-26,36-19-21-39-31-11-3-1-10-29(31)36)25-17-18-27-28-9-2-5-13-34(28)41-35-14-6-4-12-32(35)40-37(41)30(27)22-25;34-35(21-9-2-1-3-10-21,23-11-8-18-31-20-23)22-16-17-25-26(19-22)24-12-4-6-14-28(24)33-29-15-7-5-13-27(29)32-30(25)33;35-34(21-9-2-1-3-10-21,23-11-8-18-31-20-23)22-16-17-24-25-12-4-6-14-28(25)33-29-15-7-5-13-27(29)32-30(33)26(24)19-22/h2*1-25H;1-23H;2*1-20H.

What are the key properties of 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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?

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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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 has a molecular weight of 2835.67 g/mol, XLogP of 35.88, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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-decaen-4-yl-dinaphthalen-2-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-phenyl-pyridin-3-yl-selanylidene-λ5-phosphane;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-decaen-4-yl-quinolin-4-yl-quinolin-7-yl-selanylidene-λ5-phosphane;5-dinaphthalen-2-ylphosphoryl-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-[phenyl(pyridin-3-yl)phosphoryl]-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 is sourced from PubChem (CID 162152273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).