[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane

C28H24N4O2P2 — CID 11398113

IUPAC[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane
SMILESc1ccc(-c2ccccc2OP(n2cccc2)n2cccc2)c(OP(n2cccc2)n2cccc2)c1
InChIInChI=1S/C28H24N4O2P2/c1-3-15-27(33-35(29-17-5-6-18-29)30-19-7-8-20-30)25(13-1)26-14-2-4-16-28(26)34-36(31-21-9-10-22-31)32-23-11-12-24-32/h1-24H
InChIKeyQYBQIZVTDZKICK-UHFFFAOYSA-N
MW510.47 g/mol
LogP7.96
Rot. Bonds9

About [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane

[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane (PubChem CID 11398113) has the molecular formula C28H24N4O2P2 and a molecular weight of 510.47 g/mol. Its IUPAC name is [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Name[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane
PubChem CID11398113
Molecular FormulaC28H24N4O2P2
Molecular Weight510.47 g/mol
Exact Mass510.14
IUPAC Name[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane
SMILESc1ccc(-c2ccccc2OP(n2cccc2)n2cccc2)c(OP(n2cccc2)n2cccc2)c1
InChIInChI=1S/C28H24N4O2P2/c1-3-15-27(33-35(29-17-5-6-18-29)30-19-7-8-20-30)25(13-1)26-14-2-4-16-28(26)34-36(31-21-9-10-22-31)32-23-11-12-24-32/h1-24H
InChIKeyQYBQIZVTDZKICK-UHFFFAOYSA-N
XLogP7.96
TPSA38.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane?
The IUPAC name of [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane (CID 11398113) is [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane is c1ccc(-c2ccccc2OP(n2cccc2)n2cccc2)c(OP(n2cccc2)n2cccc2)c1.
What is the InChIKey of [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane?
The InChIKey is QYBQIZVTDZKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2P2/c1-3-15-27(33-35(29-17-5-6-18-29)30-19-7-8-20-30)25(13-1)26-14-2-4-16-28(26)34-36(31-21-9-10-22-31)32-23-11-12-24-32/h1-24H.
What are the key properties of [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane?
[2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane has a molecular weight of 510.47 g/mol, XLogP of 7.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-di(pyrrol-1-yl)phosphanyloxyphenyl]phenoxy]-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 11398113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).