5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide

C30H16O6P2 — CID 118219678

IUPAC5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
SMILESO=P12c3ccccc3Oc3cccc(c31)Oc1cc3c(cc12)Oc1cccc2c1P3(=O)c1ccccc1O2
InChIInChI=1S/C30H16O6P2/c31-37-25-13-3-1-7-17(25)33-19-9-5-11-21(29(19)37)35-23-16-28-24(15-27(23)37)36-22-12-6-10-20-30(22)38(28,32)26-14-4-2-8-18(26)34-20/h1-16H
InChIKeyVHUUWPYWKBCXTA-UHFFFAOYSA-N
MW534.40 g/mol
LogP5.39
Rot. Bonds

About 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide

5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide (PubChem CID 118219678) has the molecular formula C30H16O6P2 and a molecular weight of 534.40 g/mol. Its IUPAC name is 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide.

Molecular Properties

Compound Name5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
PubChem CID118219678
Molecular FormulaC30H16O6P2
Molecular Weight534.40 g/mol
Exact Mass534.04
IUPAC Name5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide
SMILESO=P12c3ccccc3Oc3cccc(c31)Oc1cc3c(cc12)Oc1cccc2c1P3(=O)c1ccccc1O2
InChIInChI=1S/C30H16O6P2/c31-37-25-13-3-1-7-17(25)33-19-9-5-11-21(29(19)37)35-23-16-28-24(15-27(23)37)36-22-12-6-10-20-30(22)38(28,32)26-14-4-2-8-18(26)34-20/h1-16H
InChIKeyVHUUWPYWKBCXTA-UHFFFAOYSA-N
XLogP5.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Bis(3-phenoxyphenoxy)benzene
CID 75565
Benzene, 1,3-bis(4-phenoxyphenoxy)-
CID 74223
1,1'-Oxybis(m-(m-phenoxyphenoxy)benzene)
CID 77296
Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)-
CID 83299
Benzene, 1-phenoxy-3-(4-phenoxyphenoxy)-
CID 82649
1,3-Bis(3-(3-phenoxyphenoxy)phenoxy)benzene
CID 90077
Oxybisphenoxarsine
CID 13100956
8,14,22-Trioxa-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 15782314
Phosphangulene oxide
CID 15782315
8,14,22-Trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 102582943
1,4-Bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1,4-Bis[3-[3-(3-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338446

Frequently Asked Questions

What is the IUPAC name of 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide?
The IUPAC name of 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide (CID 118219678) is 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide.
What is the SMILES notation for 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide?
The canonical SMILES for 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide is O=P12c3ccccc3Oc3cccc(c31)Oc1cc3c(cc12)Oc1cccc2c1P3(=O)c1ccccc1O2.
What is the InChIKey of 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide?
The InChIKey is VHUUWPYWKBCXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16O6P2/c31-37-25-13-3-1-7-17(25)33-19-9-5-11-21(29(19)37)35-23-16-28-24(15-27(23)37)36-22-12-6-10-20-30(22)38(28,32)26-14-4-2-8-18(26)34-20/h1-16H.
What are the key properties of 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide?
5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide has a molecular weight of 534.40 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,22,28-tetraoxa-1λ5,18λ5-diphosphanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6,8,10(36),12,14,16,19,23,25,27(35),29,31,33-pentadecaene 1,18-dioxide is sourced from PubChem (CID 118219678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).