4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide

C33H27NO2P2 — CID 139428899

IUPAC4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
SMILESCc1ccc2c(c1)N1c3cc(C)ccc3P(=O)(c3ccccc3)c3cc(C)cc(c31)P2(=O)c1ccccc1
InChIInChI=1S/C33H27NO2P2/c1-22-14-16-29-27(18-22)34-28-19-23(2)15-17-30(28)38(36,26-12-8-5-9-13-26)32-21-24(3)20-31(33(32)34)37(29,35)25-10-6-4-7-11-25/h4-21H,1-3H3
InChIKeyYCVGNDQGTGESIN-UHFFFAOYSA-N
MW531.53 g/mol
LogP5.99
Rot. Bonds2

About 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide

4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide (PubChem CID 139428899) has the molecular formula C33H27NO2P2 and a molecular weight of 531.53 g/mol. Its IUPAC name is 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide.

Molecular Properties

Compound Name4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
PubChem CID139428899
Molecular FormulaC33H27NO2P2
Molecular Weight531.53 g/mol
Exact Mass531.15
IUPAC Name4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide
SMILESCc1ccc2c(c1)N1c3cc(C)ccc3P(=O)(c3ccccc3)c3cc(C)cc(c31)P2(=O)c1ccccc1
InChIInChI=1S/C33H27NO2P2/c1-22-14-16-29-27(18-22)34-28-19-23(2)15-17-30(28)38(36,26-12-8-5-9-13-26)32-21-24(3)20-31(33(32)34)37(29,35)25-10-6-4-7-11-25/h4-21H,1-3H3
InChIKeyYCVGNDQGTGESIN-UHFFFAOYSA-N
XLogP5.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The IUPAC name of 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide (CID 139428899) is 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide.
What is the SMILES notation for 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The canonical SMILES for 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide is Cc1ccc2c(c1)N1c3cc(C)ccc3P(=O)(c3ccccc3)c3cc(C)cc(c31)P2(=O)c1ccccc1.
What is the InChIKey of 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
The InChIKey is YCVGNDQGTGESIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO2P2/c1-22-14-16-29-27(18-22)34-28-19-23(2)15-17-30(28)38(36,26-12-8-5-9-13-26)32-21-24(3)20-31(33(32)34)37(29,35)25-10-6-4-7-11-25/h4-21H,1-3H3.
What are the key properties of 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide?
4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide has a molecular weight of 531.53 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,18-trimethyl-8,14-diphenyl-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,14-dioxide is sourced from PubChem (CID 139428899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).