bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane

C41H13F48P — CID 138395082

IUPACbis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C41H13F48P/c42-19(43)23(50,51)27(58,59)31(66,67)28(60,61)24(52,53)20(44,45)13-1-7-16(8-2-13)90(17-9-3-14(4-10-17)21(46,47)25(54,55)29(62,63)32(68,69)34(72,73)36(76,77)38(80,81)40(84,85)86)18-11-5-15(6-12-18)22(48,49)26(56,57)30(64,65)33(70,71)35(74,75)37(78,79)39(82,83)41(87,88)89/h1-12,19H
InChIKeyNBGSYXRDEHNPLQ-UHFFFAOYSA-N
MW1448.43 g/mol
LogP18.91
Rot. Bonds24

About bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane

bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane (PubChem CID 138395082) has the molecular formula C41H13F48P and a molecular weight of 1448.43 g/mol. Its IUPAC name is bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane.

Molecular Properties

Compound Namebis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane
PubChem CID138395082
Molecular FormulaC41H13F48P
Molecular Weight1448.43 g/mol
Exact Mass1448.00
IUPAC Namebis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C41H13F48P/c42-19(43)23(50,51)27(58,59)31(66,67)28(60,61)24(52,53)20(44,45)13-1-7-16(8-2-13)90(17-9-3-14(4-10-17)21(46,47)25(54,55)29(62,63)32(68,69)34(72,73)36(76,77)38(80,81)40(84,85)86)18-11-5-15(6-12-18)22(48,49)26(56,57)30(64,65)33(70,71)35(74,75)37(78,79)39(82,83)41(87,88)89/h1-12,19H
InChIKeyNBGSYXRDEHNPLQ-UHFFFAOYSA-N
XLogP18.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.43
LogP ≤ 518.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane with MolForge

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Related Compounds

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1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-(2,3,3,4,5,5,6,6,7,7,7-undecafluoroheptan-2-yl)benzene
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N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
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[1-[2-diphenylphosphanyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)naphthalen-1-yl]-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)naphthalen-2-yl]-diphenylphosphane
CID 15536639
4-[4-[bis(4-pyridin-4-ylphenyl)-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]methyl]phenyl]pyridine
CID 168800374
[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-phenyldiazene
CID 175052241

Frequently Asked Questions

What is the IUPAC name of bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane?
The IUPAC name of bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane (CID 138395082) is bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane.
What is the SMILES notation for bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane?
The canonical SMILES for bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(P(c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1.
What is the InChIKey of bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane?
The InChIKey is NBGSYXRDEHNPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H13F48P/c42-19(43)23(50,51)27(58,59)31(66,67)28(60,61)24(52,53)20(44,45)13-1-7-16(8-2-13)90(17-9-3-14(4-10-17)21(46,47)25(54,55)29(62,63)32(68,69)34(72,73)36(76,77)38(80,81)40(84,85)86)18-11-5-15(6-12-18)22(48,49)26(56,57)30(64,65)33(70,71)35(74,75)37(78,79)39(82,83)41(87,88)89/h1-12,19H.
What are the key properties of bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane?
bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane has a molecular weight of 1448.43 g/mol, XLogP of 18.91, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptyl)phenyl]phosphane is sourced from PubChem (CID 138395082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).