2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane

C30H21F14P — CID 141042722

IUPAC2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCCCC(C)(C)CP(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F
InChIInChI=1S/C30H21F14P/c1-4-5-6-7-8-30(2,3)9-45(29-26(43)23(40)22(39)24(41)27(29)44)28-19(36)13-12(18(35)25(28)42)14(31)10-11(15(13)32)17(34)21(38)20(37)16(10)33/h4-9H2,1-3H3
InChIKeyPNAHKJUEFAFKAU-UHFFFAOYSA-N
MW678.44 g/mol
LogP10.37
Rot. Bonds9

About 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane

2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 141042722) has the molecular formula C30H21F14P and a molecular weight of 678.44 g/mol. Its IUPAC name is 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID141042722
Molecular FormulaC30H21F14P
Molecular Weight678.44 g/mol
Exact Mass678.12
IUPAC Name2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCCCCC(C)(C)CP(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F
InChIInChI=1S/C30H21F14P/c1-4-5-6-7-8-30(2,3)9-45(29-26(43)23(40)22(39)24(41)27(29)44)28-19(36)13-12(18(35)25(28)42)14(31)10-11(15(13)32)17(34)21(38)20(37)16(10)33/h4-9H2,1-3H3
InChIKeyPNAHKJUEFAFKAU-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.44
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22925407
16,16,21,21-tetramethylhexatriacontane
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3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
1,1,2,2,3,3-hexafluorononyl-(1,1,2,2,2-pentafluoroethyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637718
2,2-dimethylhexyl(diphenyl)phosphane
CID 143507399
butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637866
2,2-dimethylhexyl(diphenyl)phosphane;pentyl(diphenyl)phosphane
CID 143507398
2,2-dimethyloctan-1-amine
CID 62739423
CID 173380418
CID 173380418
2,2-dimethyldecan-1-ol
CID 520069
4,4-dimethyltridecan-1-amine
CID 172686024

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 141042722) is 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane is CCCCCCC(C)(C)CP(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F.
What is the InChIKey of 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is PNAHKJUEFAFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F14P/c1-4-5-6-7-8-30(2,3)9-45(29-26(43)23(40)22(39)24(41)27(29)44)28-19(36)13-12(18(35)25(28)42)14(31)10-11(15(13)32)17(34)21(38)20(37)16(10)33/h4-9H2,1-3H3.
What are the key properties of 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 678.44 g/mol, XLogP of 10.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloctyl-(1,3,4,5,6,7,8,9,10-nonafluoroanthracen-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 141042722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).