15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene

C26H17O4P — CID 58608940

IUPAC15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
SMILESCP1Oc2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(c32)O1
InChIInChI=1S/C26H17O4P/c1-31-29-22-14-6-12-20-24(22)26(16-8-2-4-10-18(16)27-20)17-9-3-5-11-19(17)28-21-13-7-15-23(30-31)25(21)26/h2-15H,1H3
InChIKeyOHHWDENGKVCZTO-UHFFFAOYSA-N
MW424.39 g/mol
LogP6.99
Rot. Bonds

About 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene

15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene (PubChem CID 58608940) has the molecular formula C26H17O4P and a molecular weight of 424.39 g/mol. Its IUPAC name is 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene.

Molecular Properties

Compound Name15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
PubChem CID58608940
Molecular FormulaC26H17O4P
Molecular Weight424.39 g/mol
Exact Mass424.09
IUPAC Name15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
SMILESCP1Oc2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(c32)O1
InChIInChI=1S/C26H17O4P/c1-31-29-22-14-6-12-20-24(22)26(16-8-2-4-10-18(16)27-20)17-9-3-5-11-19(17)28-21-13-7-15-23(30-31)25(21)26/h2-15H,1H3
InChIKeyOHHWDENGKVCZTO-UHFFFAOYSA-N
XLogP6.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene with MolForge

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Related Compounds

9,9-bis(3-methylphenyl)xanthene
CID 23542272
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
15-[(1R,2R)-2-phenylcyclohexyl]oxy-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
CID 70967761
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
N,N,9-trimethylxanthen-9-amine
CID 68833214
12-methyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
CID 101409447
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
9,9-bis(4-methoxyphenyl)xanthene
CID 139202599
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018138
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012

Frequently Asked Questions

What is the IUPAC name of 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The IUPAC name of 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene (CID 58608940) is 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene.
What is the SMILES notation for 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The canonical SMILES for 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene is CP1Oc2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(c32)O1.
What is the InChIKey of 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
The InChIKey is OHHWDENGKVCZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17O4P/c1-31-29-22-14-6-12-20-24(22)26(16-8-2-4-10-18(16)27-20)17-9-3-5-11-19(17)28-21-13-7-15-23(30-31)25(21)26/h2-15H,1H3.
What are the key properties of 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene?
15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene has a molecular weight of 424.39 g/mol, XLogP of 6.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene is sourced from PubChem (CID 58608940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).