16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide

C39H27O4P — CID 101497756

IUPAC16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide
SMILESCOP1(=O)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c21)COc1ccccc1-4)-c1ccccc1OC3
InChIInChI=1S/C39H27O4P/c1-41-44(40)38-30(24-12-4-2-5-13-24)20-26-22-42-32-18-10-8-16-28(32)34(26)36(38)37-35-27(23-43-33-19-11-9-17-29(33)35)21-31(39(37)44)25-14-6-3-7-15-25/h2-21H,22-23H2,1H3
InChIKeyRTWONSRSRKYRNQ-UHFFFAOYSA-N
MW590.62 g/mol
LogP9.00
Rot. Bonds3

About 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide

16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide (PubChem CID 101497756) has the molecular formula C39H27O4P and a molecular weight of 590.62 g/mol. Its IUPAC name is 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide.

Molecular Properties

Compound Name16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide
PubChem CID101497756
Molecular FormulaC39H27O4P
Molecular Weight590.62 g/mol
Exact Mass590.16
IUPAC Name16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide
SMILESCOP1(=O)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c21)COc1ccccc1-4)-c1ccccc1OC3
InChIInChI=1S/C39H27O4P/c1-41-44(40)38-30(24-12-4-2-5-13-24)20-26-22-42-32-18-10-8-16-28(32)34(26)36(38)37-35-27(23-43-33-19-11-9-17-29(33)35)21-31(39(37)44)25-14-6-3-7-15-25/h2-21H,22-23H2,1H3
InChIKeyRTWONSRSRKYRNQ-UHFFFAOYSA-N
XLogP9.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.62
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide?
The IUPAC name of 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide (CID 101497756) is 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide.
What is the SMILES notation for 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide?
The canonical SMILES for 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide is COP1(=O)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c21)COc1ccccc1-4)-c1ccccc1OC3.
What is the InChIKey of 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide?
The InChIKey is RTWONSRSRKYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27O4P/c1-41-44(40)38-30(24-12-4-2-5-13-24)20-26-22-42-32-18-10-8-16-28(32)34(26)36(38)37-35-27(23-43-33-19-11-9-17-29(33)35)21-31(39(37)44)25-14-6-3-7-15-25/h2-21H,22-23H2,1H3.
What are the key properties of 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide?
16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide has a molecular weight of 590.62 g/mol, XLogP of 9.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-14,18-diphenyl-10,22-dioxa-16λ5-phosphaheptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(29),2,4,6,8,12,14,17,19,23,25,27-dodecaene 16-oxide is sourced from PubChem (CID 101497756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).