13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

C30H32N2P2 — CID 135032203

IUPAC13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESc1ccc([P@@]2CCC[P@@](c3ccccc3)c3ccccc3NCCCNc3ccccc32)cc1
InChIInChI=1S/C30H32N2P2/c1-3-13-25(14-4-1)33-23-12-24-34(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32-22-11-21-31-27-17-7-9-19-29(27)33/h1-10,13-20,31-32H,11-12,21-24H2/t33-,34+
InChIKeyUBJNRKNRQMCUEA-AQOUDTPCSA-N
MW482.55 g/mol
LogP5.87
Rot. Bonds2

About 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene

13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (PubChem CID 135032203) has the molecular formula C30H32N2P2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene.

Molecular Properties

Compound Name13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
PubChem CID135032203
Molecular FormulaC30H32N2P2
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC Name13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
SMILESc1ccc([P@@]2CCC[P@@](c3ccccc3)c3ccccc3NCCCNc3ccccc32)cc1
InChIInChI=1S/C30H32N2P2/c1-3-13-25(14-4-1)33-23-12-24-34(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32-22-11-21-31-27-17-7-9-19-29(27)33/h1-10,13-20,31-32H,11-12,21-24H2/t33-,34+
InChIKeyUBJNRKNRQMCUEA-AQOUDTPCSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The IUPAC name of 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene (CID 135032203) is 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene.
What is the SMILES notation for 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The canonical SMILES for 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is c1ccc([P@@]2CCC[P@@](c3ccccc3)c3ccccc3NCCCNc3ccccc32)cc1.
What is the InChIKey of 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
The InChIKey is UBJNRKNRQMCUEA-AQOUDTPCSA-N. The full InChI is InChI=1S/C30H32N2P2/c1-3-13-25(14-4-1)33-23-12-24-34(26-15-5-2-6-16-26)30-20-10-8-18-28(30)32-22-11-21-31-27-17-7-9-19-29(27)33/h1-10,13-20,31-32H,11-12,21-24H2/t33-,34+.
What are the key properties of 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene?
13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene has a molecular weight of 482.55 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,17-diphenyl-2,6-diaza-13,17-diphosphatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene is sourced from PubChem (CID 135032203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).