[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane

C46H28F8P2 — CID 158745218

IUPAC[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane
SMILESC=P(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)c1ccc2ccccc2c1-c1c(P(=C)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)ccc2ccccc12
InChIInChI=1S/C46H28F8P2/c1-55(29-13-17-35(47)39(51)23-29,30-14-18-36(48)40(52)24-30)43-21-11-27-7-3-5-9-33(27)45(43)46-34-10-6-4-8-28(34)12-22-44(46)56(2,31-15-19-37(49)41(53)25-31)32-16-20-38(50)42(54)26-32/h3-26H,1-2H2
InChIKeyRMSSGQYAPAEJCU-UHFFFAOYSA-N
MW794.66 g/mol
LogP10.22
Rot. Bonds7

About [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane

[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane (PubChem CID 158745218) has the molecular formula C46H28F8P2 and a molecular weight of 794.66 g/mol. Its IUPAC name is [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane.

Molecular Properties

Compound Name[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane
PubChem CID158745218
Molecular FormulaC46H28F8P2
Molecular Weight794.66 g/mol
Exact Mass794.15
IUPAC Name[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane
SMILESC=P(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)c1ccc2ccccc2c1-c1c(P(=C)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)ccc2ccccc12
InChIInChI=1S/C46H28F8P2/c1-55(29-13-17-35(47)39(51)23-29,30-14-18-36(48)40(52)24-30)43-21-11-27-7-3-5-9-33(27)45(43)46-34-10-6-4-8-28(34)12-22-44(46)56(2,31-15-19-37(49)41(53)25-31)32-16-20-38(50)42(54)26-32/h3-26H,1-2H2
InChIKeyRMSSGQYAPAEJCU-UHFFFAOYSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.66
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane?
The IUPAC name of [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane (CID 158745218) is [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane.
What is the SMILES notation for [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane?
The canonical SMILES for [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane is C=P(c1ccc(F)c(F)c1)(c1ccc(F)c(F)c1)c1ccc2ccccc2c1-c1c(P(=C)(c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)ccc2ccccc12.
What is the InChIKey of [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane?
The InChIKey is RMSSGQYAPAEJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F8P2/c1-55(29-13-17-35(47)39(51)23-29,30-14-18-36(48)40(52)24-30)43-21-11-27-7-3-5-9-33(27)45(43)46-34-10-6-4-8-28(34)12-22-44(46)56(2,31-15-19-37(49)41(53)25-31)32-16-20-38(50)42(54)26-32/h3-26H,1-2H2.
What are the key properties of [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane?
[1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane has a molecular weight of 794.66 g/mol, XLogP of 10.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[bis(3,4-difluorophenyl)-methylidene-λ5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-bis(3,4-difluorophenyl)-methylidene-λ5-phosphane is sourced from PubChem (CID 158745218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).