10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium

C37H30OP2+2 — CID 88535368

IUPAC10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium
SMILESc1ccc([P+]2(c3ccccc3)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C37H30OP2/c1-5-17-30(18-6-1)39(31-19-7-2-8-20-31)29-40(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-28-16-14-26-35(37)38-34-25-13-15-27-36(34)39/h1-28H,29H2/q+2
InChIKeySBTSSMYCBYHXRQ-UHFFFAOYSA-N
MW552.59 g/mol
LogP7.04
Rot. Bonds4

About 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium

10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium (PubChem CID 88535368) has the molecular formula C37H30OP2+2 and a molecular weight of 552.59 g/mol. Its IUPAC name is 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium.

Molecular Properties

Compound Name10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium
PubChem CID88535368
Molecular FormulaC37H30OP2+2
Molecular Weight552.59 g/mol
Exact Mass552.18
IUPAC Name10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium
SMILESc1ccc([P+]2(c3ccccc3)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C37H30OP2/c1-5-17-30(18-6-1)39(31-19-7-2-8-20-31)29-40(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-28-16-14-26-35(37)38-34-25-13-15-27-36(34)39/h1-28H,29H2/q+2
InChIKeySBTSSMYCBYHXRQ-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.59
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium?
The IUPAC name of 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium (CID 88535368) is 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium.
What is the SMILES notation for 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium?
The canonical SMILES for 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium is c1ccc([P+]2(c3ccccc3)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium?
The InChIKey is SBTSSMYCBYHXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30OP2/c1-5-17-30(18-6-1)39(31-19-7-2-8-20-31)29-40(32-21-9-3-10-22-32,33-23-11-4-12-24-33)37-28-16-14-26-35(37)38-34-25-13-15-27-36(34)39/h1-28H,29H2/q+2.
What are the key properties of 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium?
10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium has a molecular weight of 552.59 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12,12-tetraphenyl-11H-benzo[d][6,1,3]benzoxadiphosphocine-10,12-diium is sourced from PubChem (CID 88535368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).