5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide

C42H64I2O2P2 — CID 102523622

IUPAC5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide
SMILESCCCCCCC(CCCCCC)CP1(=O)C2=C(c3ccc(I)cc31)P(=O)(CC(CCCCCC)CCCCCC)c1cc(I)ccc12
InChIInChI=1S/C42H64I2O2P2/c1-5-9-13-17-21-33(22-18-14-10-6-2)31-47(45)39-29-35(43)25-27-37(39)42-41(47)38-28-26-36(44)30-40(38)48(42,46)32-34(23-19-15-11-7-3)24-20-16-12-8-4/h25-30,33-34H,5-24,31-32H2,1-4H3
InChIKeyITSXBWYXQKZLTD-UHFFFAOYSA-N
MW916.73 g/mol
LogP14.84
Rot. Bonds24

About 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide

5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide (PubChem CID 102523622) has the molecular formula C42H64I2O2P2 and a molecular weight of 916.73 g/mol. Its IUPAC name is 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide.

Molecular Properties

Compound Name5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide
PubChem CID102523622
Molecular FormulaC42H64I2O2P2
Molecular Weight916.73 g/mol
Exact Mass916.25
IUPAC Name5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide
SMILESCCCCCCC(CCCCCC)CP1(=O)C2=C(c3ccc(I)cc31)P(=O)(CC(CCCCCC)CCCCCC)c1cc(I)ccc12
InChIInChI=1S/C42H64I2O2P2/c1-5-9-13-17-21-33(22-18-14-10-6-2)31-47(45)39-29-35(43)25-27-37(39)42-41(47)38-28-26-36(44)30-40(38)48(42,46)32-34(23-19-15-11-7-3)24-20-16-12-8-4/h25-30,33-34H,5-24,31-32H2,1-4H3
InChIKeyITSXBWYXQKZLTD-UHFFFAOYSA-N
XLogP14.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.73
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide?
The IUPAC name of 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide (CID 102523622) is 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide.
What is the SMILES notation for 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide?
The canonical SMILES for 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide is CCCCCCC(CCCCCC)CP1(=O)C2=C(c3ccc(I)cc31)P(=O)(CC(CCCCCC)CCCCCC)c1cc(I)ccc12.
What is the InChIKey of 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide?
The InChIKey is ITSXBWYXQKZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64I2O2P2/c1-5-9-13-17-21-33(22-18-14-10-6-2)31-47(45)39-29-35(43)25-27-37(39)42-41(47)38-28-26-36(44)30-40(38)48(42,46)32-34(23-19-15-11-7-3)24-20-16-12-8-4/h25-30,33-34H,5-24,31-32H2,1-4H3.
What are the key properties of 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide?
5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide has a molecular weight of 916.73 g/mol, XLogP of 14.84, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2-hexyloctyl)-2,7-diiodophosphindolo[3,2-b]phosphindole 5,10-dioxide is sourced from PubChem (CID 102523622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).