[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane

C68H50F4N8O4P4 — CID 102577142

IUPAC[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)cc1
InChIInChI=1S/C68H50F4N8O4P4/c69-55-25-17-51(18-26-55)59-49-60(52-19-27-56(70)28-20-52)66(82-86(75-37-5-6-38-75)76-39-7-8-40-76)63(65(59)81-85(73-33-1-2-34-73)74-35-3-4-36-74)64-67(83-87(77-41-9-10-42-77)78-43-11-12-44-78)61(53-21-29-57(71)30-22-53)50-62(54-23-31-58(72)32-24-54)68(64)84-88(79-45-13-14-46-79)80-47-15-16-48-80/h1-50H
InChIKeyIESNOXIJDBNQHO-UHFFFAOYSA-N
MW1243.09 g/mol
LogP19.80
Rot. Bonds21

About [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane

[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane (PubChem CID 102577142) has the molecular formula C68H50F4N8O4P4 and a molecular weight of 1243.09 g/mol. Its IUPAC name is [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Name[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane
PubChem CID102577142
Molecular FormulaC68H50F4N8O4P4
Molecular Weight1243.09 g/mol
Exact Mass1242.28
IUPAC Name[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)cc1
InChIInChI=1S/C68H50F4N8O4P4/c69-55-25-17-51(18-26-55)59-49-60(52-19-27-56(70)28-20-52)66(82-86(75-37-5-6-38-75)76-39-7-8-40-76)63(65(59)81-85(73-33-1-2-34-73)74-35-3-4-36-74)64-67(83-87(77-41-9-10-42-77)78-43-11-12-44-78)61(53-21-29-57(71)30-22-53)50-62(54-23-31-58(72)32-24-54)68(64)84-88(79-45-13-14-46-79)80-47-15-16-48-80/h1-50H
InChIKeyIESNOXIJDBNQHO-UHFFFAOYSA-N
XLogP19.80
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.09
LogP ≤ 519.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane?
The IUPAC name of [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane (CID 102577142) is [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane is Fc1ccc(-c2cc(-c3ccc(F)cc3)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4)cc(-c4ccc(F)cc4)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)cc1.
What is the InChIKey of [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane?
The InChIKey is IESNOXIJDBNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50F4N8O4P4/c69-55-25-17-51(18-26-55)59-49-60(52-19-27-56(70)28-20-52)66(82-86(75-37-5-6-38-75)76-39-7-8-40-76)63(65(59)81-85(73-33-1-2-34-73)74-35-3-4-36-74)64-67(83-87(77-41-9-10-42-77)78-43-11-12-44-78)61(53-21-29-57(71)30-22-53)50-62(54-23-31-58(72)32-24-54)68(64)84-88(79-45-13-14-46-79)80-47-15-16-48-80/h1-50H.
What are the key properties of [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane?
[2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane has a molecular weight of 1243.09 g/mol, XLogP of 19.80, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis[di(pyrrol-1-yl)phosphanyloxy]-3,5-bis(4-fluorophenyl)phenyl]-3-di(pyrrol-1-yl)phosphanyloxy-4,6-bis(4-fluorophenyl)phenoxy]-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 102577142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).