4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene

C58H36F34O — CID 57305746

IUPAC4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
SMILESCCc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC)cc2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)c2ccccc2)c(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)c1
InChIInChI=1S/C58H36F34O/c1-3-31-25-27-37(39(29-31)43(59,60)45(63,64)47(67,68)49(71,72)51(75,76)53(79,80)55(83,84)57(87,88)89)41(33-17-9-5-10-18-33,34-19-11-6-12-20-34)93-42(35-21-13-7-14-22-35,36-23-15-8-16-24-36)38-28-26-32(4-2)30-40(38)44(61,62)46(65,66)48(69,70)50(73,74)52(77,78)54(81,82)56(85,86)58(90,91)92/h5-30H,3-4H2,1-2H3
InChIKeyJVBQBRWILNLUBK-UHFFFAOYSA-N
MW1394.86 g/mol
LogP21.04
Rot. Bonds24

About 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene

4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene (PubChem CID 57305746) has the molecular formula C58H36F34O and a molecular weight of 1394.86 g/mol. Its IUPAC name is 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene.

Molecular Properties

Compound Name4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
PubChem CID57305746
Molecular FormulaC58H36F34O
Molecular Weight1394.86 g/mol
Exact Mass1394.22
IUPAC Name4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
SMILESCCc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC)cc2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)c2ccccc2)c(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)c1
InChIInChI=1S/C58H36F34O/c1-3-31-25-27-37(39(29-31)43(59,60)45(63,64)47(67,68)49(71,72)51(75,76)53(79,80)55(83,84)57(87,88)89)41(33-17-9-5-10-18-33,34-19-11-6-12-20-34)93-42(35-21-13-7-14-22-35,36-23-15-8-16-24-36)38-28-26-32(4-2)30-40(38)44(61,62)46(65,66)48(69,70)50(73,74)52(77,78)54(81,82)56(85,86)58(90,91)92/h5-30H,3-4H2,1-2H3
InChIKeyJVBQBRWILNLUBK-UHFFFAOYSA-N
XLogP21.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001394.86
LogP ≤ 521.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene?
The IUPAC name of 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene (CID 57305746) is 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene.
What is the SMILES notation for 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene?
The canonical SMILES for 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene is CCc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CC)cc2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)c2ccccc2)c(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)c1.
What is the InChIKey of 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene?
The InChIKey is JVBQBRWILNLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36F34O/c1-3-31-25-27-37(39(29-31)43(59,60)45(63,64)47(67,68)49(71,72)51(75,76)53(79,80)55(83,84)57(87,88)89)41(33-17-9-5-10-18-33,34-19-11-6-12-20-34)93-42(35-21-13-7-14-22-35,36-23-15-8-16-24-36)38-28-26-32(4-2)30-40(38)44(61,62)46(65,66)48(69,70)50(73,74)52(77,78)54(81,82)56(85,86)58(90,91)92/h5-30H,3-4H2,1-2H3.
What are the key properties of 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene?
4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene has a molecular weight of 1394.86 g/mol, XLogP of 21.04, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[4-ethyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-diphenylmethoxy]-diphenylmethyl]-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene is sourced from PubChem (CID 57305746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).