1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane

C38H48P2 — CID 90111830

IUPAC1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane
SMILESc1ccc(P2(CCCCCCP3(c4ccccc4)(c4ccccc4)CCCC3)(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C38H48P2/c1(15-29-39(31-17-18-32-39,35-21-7-3-8-22-35)36-23-9-4-10-24-36)2-16-30-40(33-19-20-34-40,37-25-11-5-12-26-37)38-27-13-6-14-28-38/h3-14,21-28H,1-2,15-20,29-34H2
InChIKeyVAENKPFOGYTOOM-UHFFFAOYSA-N
MW566.75 g/mol
LogP8.54
Rot. Bonds11

About 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane

1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane (PubChem CID 90111830) has the molecular formula C38H48P2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane.

Molecular Properties

Compound Name1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane
PubChem CID90111830
Molecular FormulaC38H48P2
Molecular Weight566.75 g/mol
Exact Mass566.32
IUPAC Name1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane
SMILESc1ccc(P2(CCCCCCP3(c4ccccc4)(c4ccccc4)CCCC3)(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C38H48P2/c1(15-29-39(31-17-18-32-39,35-21-7-3-8-22-35)36-23-9-4-10-24-36)2-16-30-40(33-19-20-34-40,37-25-11-5-12-26-37)38-27-13-6-14-28-38/h3-14,21-28H,1-2,15-20,29-34H2
InChIKeyVAENKPFOGYTOOM-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 86175301

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane?
The IUPAC name of 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane (CID 90111830) is 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane.
What is the SMILES notation for 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane?
The canonical SMILES for 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane is c1ccc(P2(CCCCCCP3(c4ccccc4)(c4ccccc4)CCCC3)(c3ccccc3)CCCC2)cc1.
What is the InChIKey of 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane?
The InChIKey is VAENKPFOGYTOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48P2/c1(15-29-39(31-17-18-32-39,35-21-7-3-8-22-35)36-23-9-4-10-24-36)2-16-30-40(33-19-20-34-40,37-25-11-5-12-26-37)38-27-13-6-14-28-38/h3-14,21-28H,1-2,15-20,29-34H2.
What are the key properties of 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane?
1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane has a molecular weight of 566.75 g/mol, XLogP of 8.54, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-diphenyl-1λ5-phospholan-1-yl)hexyl]-1,1-diphenyl-1λ5-phospholane is sourced from PubChem (CID 90111830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).