8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide

C45H42NO3P3 — CID 153424856

IUPAC8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide
SMILESCC(C)c1cc2c3c(c1)P(=O)(c1ccccc1)c1cc(C(C)C)cc4c1N3c1c(cc(C(C)C)cc1P4(=O)c1ccccc1)P2(=O)c1ccccc1
InChIInChI=1S/C45H42NO3P3/c1-28(2)31-22-37-43-38(23-31)51(48,35-18-12-8-13-19-35)40-25-33(30(5)6)27-42-45(40)46(43)44-39(50(37,47)34-16-10-7-11-17-34)24-32(29(3)4)26-41(44)52(42,49)36-20-14-9-15-21-36/h7-30H,1-6H3
InChIKeyDTOFGFGFSITZQN-UHFFFAOYSA-N
MW737.76 g/mol
LogP8.39
Rot. Bonds6

About 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide

8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide (PubChem CID 153424856) has the molecular formula C45H42NO3P3 and a molecular weight of 737.76 g/mol. Its IUPAC name is 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide.

Molecular Properties

Compound Name8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide
PubChem CID153424856
Molecular FormulaC45H42NO3P3
Molecular Weight737.76 g/mol
Exact Mass737.24
IUPAC Name8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide
SMILESCC(C)c1cc2c3c(c1)P(=O)(c1ccccc1)c1cc(C(C)C)cc4c1N3c1c(cc(C(C)C)cc1P4(=O)c1ccccc1)P2(=O)c1ccccc1
InChIInChI=1S/C45H42NO3P3/c1-28(2)31-22-37-43-38(23-31)51(48,35-18-12-8-13-19-35)40-25-33(30(5)6)27-42-45(40)46(43)44-39(50(37,47)34-16-10-7-11-17-34)24-32(29(3)4)26-41(44)52(42,49)36-20-14-9-15-21-36/h7-30H,1-6H3
InChIKeyDTOFGFGFSITZQN-UHFFFAOYSA-N
XLogP8.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.76
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide?
The IUPAC name of 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide (CID 153424856) is 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide.
What is the SMILES notation for 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide?
The canonical SMILES for 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide is CC(C)c1cc2c3c(c1)P(=O)(c1ccccc1)c1cc(C(C)C)cc4c1N3c1c(cc(C(C)C)cc1P4(=O)c1ccccc1)P2(=O)c1ccccc1.
What is the InChIKey of 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide?
The InChIKey is DTOFGFGFSITZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H42NO3P3/c1-28(2)31-22-37-43-38(23-31)51(48,35-18-12-8-13-19-35)40-25-33(30(5)6)27-42-45(40)46(43)44-39(50(37,47)34-16-10-7-11-17-34)24-32(29(3)4)26-41(44)52(42,49)36-20-14-9-15-21-36/h7-30H,1-6H3.
What are the key properties of 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide?
8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide has a molecular weight of 737.76 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,22-triphenyl-5,11,17-tri(propan-2-yl)-1-aza-8λ5,14λ5,22λ5-triphosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 8,14,22-trioxide is sourced from PubChem (CID 153424856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).