8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C196H163N13OP2 — CID 158091985

IUPAC8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(C)C.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1N4c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4(=O)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4c1ccccc1
InChIInChI=1S/C46H36N2.2C36H32N2.C26H21N3.C26H21N2OP.C26H21N2P/c1-32(2)33-28-29-38-42(31-33)48-43-39(45(38,34-17-7-3-8-18-34)35-19-9-4-10-20-35)25-15-26-40(43)46(36-21-11-5-12-22-36,37-23-13-6-14-24-37)41-27-16-30-47-44(41)48;1-24(2)25-20-21-28-32(23-25)38-33-29(35(3,4)31-19-12-22-37-34(31)38)17-11-18-30(33)36(28,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-24(2)25-20-21-28-32(23-25)38-33-29(35(28,3)4)17-11-18-30(33)36(26-13-7-5-8-14-26,27-15-9-6-10-16-27)31-19-12-22-37-34(31)38;1-17(2)18-13-14-20-21-10-6-11-22-25(21)29(24(20)16-18)26-23(12-7-15-27-26)28(22)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)30(23,29)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)29(23)19-8-4-3-5-9-19/h3-32H,1-2H3;2*5-24H,1-4H3;3-17H,1-2H3;3-17H,1-2H3;3-17H,1-2H3
InChIKeyFOFGSZKXMYHIAJ-UHFFFAOYSA-N
MW2778.50 g/mol
LogP46.80
Rot. Bonds17

About 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 158091985) has the molecular formula C196H163N13OP2 and a molecular weight of 2778.50 g/mol. Its IUPAC name is 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID158091985
Molecular FormulaC196H163N13OP2
Molecular Weight2778.50 g/mol
Exact Mass2776.26
IUPAC Name8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(C)C.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1N4c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4(=O)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4c1ccccc1
InChIInChI=1S/C46H36N2.2C36H32N2.C26H21N3.C26H21N2OP.C26H21N2P/c1-32(2)33-28-29-38-42(31-33)48-43-39(45(38,34-17-7-3-8-18-34)35-19-9-4-10-20-35)25-15-26-40(43)46(36-21-11-5-12-22-36,37-23-13-6-14-24-37)41-27-16-30-47-44(41)48;1-24(2)25-20-21-28-32(23-25)38-33-29(35(3,4)31-19-12-22-37-34(31)38)17-11-18-30(33)36(28,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-24(2)25-20-21-28-32(23-25)38-33-29(35(28,3)4)17-11-18-30(33)36(26-13-7-5-8-14-26,27-15-9-6-10-16-27)31-19-12-22-37-34(31)38;1-17(2)18-13-14-20-21-10-6-11-22-25(21)29(24(20)16-18)26-23(12-7-15-27-26)28(22)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)30(23,29)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)29(23)19-8-4-3-5-9-19/h3-32H,1-2H3;2*5-24H,1-4H3;3-17H,1-2H3;3-17H,1-2H3;3-17H,1-2H3
InChIKeyFOFGSZKXMYHIAJ-UHFFFAOYSA-N
XLogP46.80
TPSA122.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.50
LogP ≤ 546.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 158091985) is 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is CC(C)c1ccc2c(c1)N1c3ncccc3C(C)(C)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(C)C.CC(C)c1ccc2c(c1)N1c3ncccc3C(c3ccccc3)(c3ccccc3)c3cccc(c31)C2(c1ccccc1)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1N4c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4(=O)c1ccccc1.CC(C)c1ccc2c3cccc4c3n(c2c1)-c1ncccc1P4c1ccccc1.
What is the InChIKey of 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is FOFGSZKXMYHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2.2C36H32N2.C26H21N3.C26H21N2OP.C26H21N2P/c1-32(2)33-28-29-38-42(31-33)48-43-39(45(38,34-17-7-3-8-18-34)35-19-9-4-10-20-35)25-15-26-40(43)46(36-21-11-5-12-22-36,37-23-13-6-14-24-37)41-27-16-30-47-44(41)48;1-24(2)25-20-21-28-32(23-25)38-33-29(35(3,4)31-19-12-22-37-34(31)38)17-11-18-30(33)36(28,26-13-7-5-8-14-26)27-15-9-6-10-16-27;1-24(2)25-20-21-28-32(23-25)38-33-29(35(28,3)4)17-11-18-30(33)36(26-13-7-5-8-14-26,27-15-9-6-10-16-27)31-19-12-22-37-34(31)38;1-17(2)18-13-14-20-21-10-6-11-22-25(21)29(24(20)16-18)26-23(12-7-15-27-26)28(22)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)30(23,29)19-8-4-3-5-9-19;1-17(2)18-13-14-20-21-10-6-11-23-25(21)28(22(20)16-18)26-24(12-7-15-27-26)29(23)19-8-4-3-5-9-19/h3-32H,1-2H3;2*5-24H,1-4H3;3-17H,1-2H3;3-17H,1-2H3;3-17H,1-2H3.
What are the key properties of 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 2778.50 g/mol, XLogP of 46.80, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;14,14-dimethyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;13-phenyl-4-propan-2-yl-1,18-diaza-13λ5-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene 13-oxide;13-phenyl-4-propan-2-yl-1,18-diaza-13-phosphapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;13-phenyl-4-propan-2-yl-1,13,18-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;8,8,14,14-tetraphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 158091985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).