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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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

C184H116N17O3P5SSe — CID 158443120

About 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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

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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 158443120) has the molecular formula C184H116N17O3P5SSe and a molecular weight of 2878.96 g/mol. Its IUPAC name is 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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: 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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: 158443120
• Molecular Formula: C184H116N17O3P5SSe
• Molecular Weight: 2878.96 g/mol
• Exact Mass: 2877.70
• IUPAC Name: 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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(c1ccc2ccccc2c1)(c1ccc2ccc3ccccc3c2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.O=P(c1ccccc1)(c1cnc2ccccc2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.O=P(c1cccnc1)(c1ccc2ncncc2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.S=P(c1ccc2ccccc2c1)(c1ccc2ccc3ccccc3c2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.[Se]=P(c1ccncc1)(c1ccc2cncnc2c1)c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21
• InChI: InChI=1S/C43H27N2OP.C43H27N2PS.C34H22N3OP.C32H20N5OP.C32H20N5PSe/c46-47(32-21-19-28-9-1-2-11-31(28)25-32,33-22-20-30-18-17-29-10-3-4-12-35(29)39(30)26-33)34-23-24-40-42(27-34)45-41-16-8-7-14-37(41)36-13-5-6-15-38(36)43(45)44-40;47-46(32-21-19-28-9-1-2-11-31(28)25-32,33-22-20-30-18-17-29-10-3-4-12-35(29)39(30)26-33)34-23-24-40-42(27-34)45-41-16-8-7-14-37(41)36-13-5-6-15-38(36)43(45)44-40;38-39(24-11-2-1-3-12-24,26-20-23-10-4-8-16-30(23)35-22-26)25-18-19-31-33(21-25)37-32-17-9-7-14-28(32)27-13-5-6-15-29(27)34(37)36-31;38-39(24-6-5-15-33-19-24,22-11-13-28-21(16-22)18-34-20-35-28)23-12-14-29-31(17-23)37-30-10-4-3-8-26(30)25-7-1-2-9-27(25)32(37)36-29;39-38(22-13-15-33-16-14-22,23-10-9-21-19-34-20-35-28(21)17-23)24-11-12-31-29(18-24)36-32-27-7-2-1-5-25(27)26-6-3-4-8-30(26)37(31)32/h2*1-27H;1-22H;2*1-20H
• InChIKey: HDBGFTINYGZONM-UHFFFAOYSA-N
• XLogP: 38.16
• TPSA: 227.94 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2878.96
LogP ≤ 5	38.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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),2,4,6,8,10,12,15(20),16,18-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 158443120) is 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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(c1ccc2ccccc2c1)(c1ccc2ccc3ccccc3c2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.O=P(c1ccccc1)(c1cnc2ccccc2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.O=P(c1cccnc1)(c1ccc2ncncc2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.S=P(c1ccc2ccccc2c1)(c1ccc2ccc3ccccc3c2c1)c1ccc2nc3c4ccccc4c4ccccc4n3c2c1.[Se]=P(c1ccncc1)(c1ccc2cncnc2c1)c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21.

What is the InChIKey of 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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 HDBGFTINYGZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N2OP.C43H27N2PS.C34H22N3OP.C32H20N5OP.C32H20N5PSe/c46-47(32-21-19-28-9-1-2-11-31(28)25-32,33-22-20-30-18-17-29-10-3-4-12-35(29)39(30)26-33)34-23-24-40-42(27-34)45-41-16-8-7-14-37(41)36-13-5-6-15-38(36)43(45)44-40;47-46(32-21-19-28-9-1-2-11-31(28)25-32,33-22-20-30-18-17-29-10-3-4-12-35(29)39(30)26-33)34-23-24-40-42(27-34)45-41-16-8-7-14-37(41)36-13-5-6-15-38(36)43(45)44-40;38-39(24-11-2-1-3-12-24,26-20-23-10-4-8-16-30(23)35-22-26)25-18-19-31-33(21-25)37-32-17-9-7-14-28(32)27-13-5-6-15-29(27)34(37)36-31;38-39(24-6-5-15-33-19-24,22-11-13-28-21(16-22)18-34-20-35-28)23-12-14-29-31(17-23)37-30-10-4-3-8-26(30)25-7-1-2-9-27(25)32(37)36-29;39-38(22-13-15-33-16-14-22,23-10-9-21-19-34-20-35-28(21)17-23)24-11-12-31-29(18-24)36-32-27-7-2-1-5-25(27)26-6-3-4-8-30(26)37(31)32/h2*1-27H;1-22H;2*1-20H.

What are the key properties of 14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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?

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-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 2878.96 g/mol, XLogP of 38.16, 15 rotatable bonds, 0 hydrogen bond donors, and 21 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),2,4,6,8,10,12,15(20),16,18-decaen-17-yl-naphthalen-2-yl-phenanthren-3-yl-sulfanylidene-λ5-phosphane;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-decaen-18-yl-pyridin-4-yl-quinazolin-7-yl-selanylidene-λ5-phosphane;17-[naphthalen-2-yl(phenanthren-3-yl)phosphoryl]-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;17-[phenyl(quinolin-3-yl)phosphoryl]-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;17-[pyridin-3-yl(quinazolin-6-yl)phosphoryl]-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 158443120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).