[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

C56H30F26P2 — CID 15536639

IUPAC[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
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C56H30F26P2/c57-45(58,47(61,62)49(65,66)51(69,70)53(73,74)55(77,78)79)33-23-25-39-31(29-33)21-27-41(83(35-13-5-1-6-14-35)36-15-7-2-8-16-36)43(39)44-40-26-24-34(46(59,60)48(63,64)50(67,68)52(71,72)54(75,76)56(80,81)82)30-32(40)22-28-42(44)84(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-30H
InChIKeyCPLYPBQVLLQSAN-UHFFFAOYSA-N
MW1258.75 g/mol
LogP17.57
Rot. Bonds17

About [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

[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 (PubChem CID 15536639) has the molecular formula C56H30F26P2 and a molecular weight of 1258.75 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID15536639
Molecular FormulaC56H30F26P2
Molecular Weight1258.75 g/mol
Exact Mass1258.14
IUPAC Name[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
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C56H30F26P2/c57-45(58,47(61,62)49(65,66)51(69,70)53(73,74)55(77,78)79)33-23-25-39-31(29-33)21-27-41(83(35-13-5-1-6-14-35)36-15-7-2-8-16-36)43(39)44-40-26-24-34(46(59,60)48(63,64)50(67,68)52(71,72)54(75,76)56(80,81)82)30-32(40)22-28-42(44)84(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-30H
InChIKeyCPLYPBQVLLQSAN-UHFFFAOYSA-N
XLogP17.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.75
LogP ≤ 517.57
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 [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 with MolForge

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Related Compounds

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CID 10555235
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 21470378
[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
CID 11412181
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[6-diphenylphosphanyl-5-[2-diphenylphosphanyl-6-[hydroxy(methoxy)phosphoryl]naphthalen-1-yl]naphthalen-2-yl]-methoxyphosphinic acid
CID 20775207
[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
CID 11412180
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]thiourea
CID 53356393

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of [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?
The InChIKey is CPLYPBQVLLQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30F26P2/c57-45(58,47(61,62)49(65,66)51(69,70)53(73,74)55(77,78)79)33-23-25-39-31(29-33)21-27-41(83(35-13-5-1-6-14-35)36-15-7-2-8-16-36)43(39)44-40-26-24-34(46(59,60)48(63,64)50(67,68)52(71,72)54(75,76)56(80,81)82)30-32(40)22-28-42(44)84(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-30H.
What are the key properties of [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?
[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 has a molecular weight of 1258.75 g/mol, XLogP of 17.57, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 15536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).