1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane

C50H52F14O2Si2 — CID 140564030

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane
SMILESCCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(CC)OC(F)(C(F)(F)F)C(F)(F)F)c2cc3ccccc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C50H52F14O2Si2/c1-11-43(65-45(51,47(53,54)55)48(56,57)58)67(29(3)4,30(5)6)23-21-37-39-25-33-17-13-15-19-35(33)27-41(39)38(42-28-36-20-16-14-18-34(36)26-40(37)42)22-24-68(31(7)8,32(9)10)44(12-2)66-46(52,49(59,60)61)50(62,63)64/h13-20,25-32,43-44H,11-12H2,1-10H3
InChIKeyPWFFTVXNSLIPNG-UHFFFAOYSA-N
MW1007.11 g/mol
LogP16.87
Rot. Bonds12

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane (PubChem CID 140564030) has the molecular formula C50H52F14O2Si2 and a molecular weight of 1007.11 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane
PubChem CID140564030
Molecular FormulaC50H52F14O2Si2
Molecular Weight1007.11 g/mol
Exact Mass1006.33
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane
SMILESCCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(CC)OC(F)(C(F)(F)F)C(F)(F)F)c2cc3ccccc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C50H52F14O2Si2/c1-11-43(65-45(51,47(53,54)55)48(56,57)58)67(29(3)4,30(5)6)23-21-37-39-25-33-17-13-15-19-35(33)27-41(39)38(42-28-36-20-16-14-18-34(36)26-40(37)42)22-24-68(31(7)8,32(9)10)44(12-2)66-46(52,49(59,60)61)50(62,63)64/h13-20,25-32,43-44H,11-12H2,1-10H3
InChIKeyPWFFTVXNSLIPNG-UHFFFAOYSA-N
XLogP16.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.11
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane (CID 140564030) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane is CCC(OC(F)(C(F)(F)F)C(F)(F)F)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(CC)OC(F)(C(F)(F)F)C(F)(F)F)c2cc3ccccc3cc12)(C(C)C)C(C)C.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane?
The InChIKey is PWFFTVXNSLIPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52F14O2Si2/c1-11-43(65-45(51,47(53,54)55)48(56,57)58)67(29(3)4,30(5)6)23-21-37-39-25-33-17-13-15-19-35(33)27-41(39)38(42-28-36-20-16-14-18-34(36)26-40(37)42)22-24-68(31(7)8,32(9)10)44(12-2)66-46(52,49(59,60)61)50(62,63)64/h13-20,25-32,43-44H,11-12H2,1-10H3.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane has a molecular weight of 1007.11 g/mol, XLogP of 16.87, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane is sourced from PubChem (CID 140564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).