2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene

C28H20P2 — CID 134950584

IUPAC2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene
SMILESc1ccc2c(c1)C1c3ccccc3C2P2C3c4ccccc4C(c4ccccc43)P12
InChIInChI=1S/C28H20P2/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)30-28-23-15-7-5-13-21(23)27(29(25)30)22-14-6-8-16-24(22)28/h1-16,25-28H
InChIKeyFKZACGZQWMWSBX-UHFFFAOYSA-N
MW418.42 g/mol
LogP8.28
Rot. Bonds

About 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene

2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene (PubChem CID 134950584) has the molecular formula C28H20P2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene.

Molecular Properties

Compound Name2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene
PubChem CID134950584
Molecular FormulaC28H20P2
Molecular Weight418.42 g/mol
Exact Mass418.10
IUPAC Name2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene
SMILESc1ccc2c(c1)C1c3ccccc3C2P2C3c4ccccc4C(c4ccccc43)P12
InChIInChI=1S/C28H20P2/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)30-28-23-15-7-5-13-21(23)27(29(25)30)22-14-6-8-16-24(22)28/h1-16,25-28H
InChIKeyFKZACGZQWMWSBX-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene?
The IUPAC name of 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene (CID 134950584) is 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene.
What is the SMILES notation for 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene?
The canonical SMILES for 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene is c1ccc2c(c1)C1c3ccccc3C2P2C3c4ccccc4C(c4ccccc43)P12.
What is the InChIKey of 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene?
The InChIKey is FKZACGZQWMWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20P2/c1-2-10-18-17(9-1)25-19-11-3-4-12-20(19)26(18)30-28-23-15-7-5-13-21(23)27(29(25)30)22-14-6-8-16-24(22)28/h1-16,25-28H.
What are the key properties of 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene?
2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene has a molecular weight of 418.42 g/mol, XLogP of 8.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-diphosphaoctacyclo[10.6.6.63,10.02,11.04,9.013,18.019,24.025,30]triaconta-4,6,8,13,15,17,19,21,23,25,27,29-dodecaene is sourced from PubChem (CID 134950584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).