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

C68H46F8N8O4P4 — CID 102598128

IUPAC[2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3F)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4F)cc(-c4ccc(F)cc4F)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)c(F)c1
InChIInChI=1S/C68H46F8N8O4P4/c69-47-17-21-51(59(73)41-47)55-45-56(52-22-18-48(70)42-60(52)74)66(86-90(79-29-5-6-30-79)80-31-7-8-32-80)63(65(55)85-89(77-25-1-2-26-77)78-27-3-4-28-78)64-67(87-91(81-33-9-10-34-81)82-35-11-12-36-82)57(53-23-19-49(71)43-61(53)75)46-58(54-24-20-50(72)44-62(54)76)68(64)88-92(83-37-13-14-38-83)84-39-15-16-40-84/h1-46H
InChIKeyFYRUPIZKWMVRPB-UHFFFAOYSA-N
MW1315.05 g/mol
LogP20.36
Rot. Bonds21

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

[2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane (PubChem CID 102598128) has the molecular formula C68H46F8N8O4P4 and a molecular weight of 1315.05 g/mol. Its IUPAC name is [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Name[2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane
PubChem CID102598128
Molecular FormulaC68H46F8N8O4P4
Molecular Weight1315.05 g/mol
Exact Mass1314.25
IUPAC Name[2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3F)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4F)cc(-c4ccc(F)cc4F)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)c(F)c1
InChIInChI=1S/C68H46F8N8O4P4/c69-47-17-21-51(59(73)41-47)55-45-56(52-22-18-48(70)42-60(52)74)66(86-90(79-29-5-6-30-79)80-31-7-8-32-80)63(65(55)85-89(77-25-1-2-26-77)78-27-3-4-28-78)64-67(87-91(81-33-9-10-34-81)82-35-11-12-36-82)57(53-23-19-49(71)43-61(53)75)46-58(54-24-20-50(72)44-62(54)76)68(64)88-92(83-37-13-14-38-83)84-39-15-16-40-84/h1-46H
InChIKeyFYRUPIZKWMVRPB-UHFFFAOYSA-N
XLogP20.36
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.05
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane?
The IUPAC name of [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane (CID 102598128) is [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane is Fc1ccc(-c2cc(-c3ccc(F)cc3F)c(OP(n3cccc3)n3cccc3)c(-c3c(OP(n4cccc4)n4cccc4)c(-c4ccc(F)cc4F)cc(-c4ccc(F)cc4F)c3OP(n3cccc3)n3cccc3)c2OP(n2cccc2)n2cccc2)c(F)c1.
What is the InChIKey of [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane?
The InChIKey is FYRUPIZKWMVRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46F8N8O4P4/c69-47-17-21-51(59(73)41-47)55-45-56(52-22-18-48(70)42-60(52)74)66(86-90(79-29-5-6-30-79)80-31-7-8-32-80)63(65(55)85-89(77-25-1-2-26-77)78-27-3-4-28-78)64-67(87-91(81-33-9-10-34-81)82-35-11-12-36-82)57(53-23-19-49(71)43-61(53)75)46-58(54-24-20-50(72)44-62(54)76)68(64)88-92(83-37-13-14-38-83)84-39-15-16-40-84/h1-46H.
What are the key properties of [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane?
[2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane has a molecular weight of 1315.05 g/mol, XLogP of 20.36, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-bis(2,4-difluorophenyl)-2,6-bis[di(pyrrol-1-yl)phosphanyloxy]phenyl]-4,6-bis(2,4-difluorophenyl)-3-di(pyrrol-1-yl)phosphanyloxyphenoxy]-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 102598128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).