3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 91592744

IUPAC3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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
SMILESCC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(C(C)C)C(C)C)c2cc3ccccc3cc12)(CCCOC(F)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C50H52F14O2Si2/c1-31(2)67(32(3)4,23-13-21-65-45(51,47(53,54)55)48(56,57)58)25-19-39-41-27-35-15-9-11-17-37(35)29-43(41)40(44-30-38-18-12-10-16-36(38)28-42(39)44)20-26-68(33(5)6,34(7)8)24-14-22-66-46(52,49(59,60)61)50(62,63)64/h9-12,15-18,27-34H,13-14,21-24H2,1-8H3
InChIKeySIALDYNZMIAMFL-UHFFFAOYSA-N
MW1007.11 g/mol
LogP17.01
Rot. Bonds14

About 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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

3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 91592744) has the molecular formula C50H52F14O2Si2 and a molecular weight of 1007.11 g/mol. Its IUPAC name is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 CID91592744
Molecular FormulaC50H52F14O2Si2
Molecular Weight1007.11 g/mol
Exact Mass1006.33
IUPAC Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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
SMILESCC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(C(C)C)C(C)C)c2cc3ccccc3cc12)(CCCOC(F)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C50H52F14O2Si2/c1-31(2)67(32(3)4,23-13-21-65-45(51,47(53,54)55)48(56,57)58)25-19-39-41-27-35-15-9-11-17-37(35)29-43(41)40(44-30-38-18-12-10-16-36(38)28-42(39)44)20-26-68(33(5)6,34(7)8)24-14-22-66-46(52,49(59,60)61)50(62,63)64/h9-12,15-18,27-34H,13-14,21-24H2,1-8H3
InChIKeySIALDYNZMIAMFL-UHFFFAOYSA-N
XLogP17.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.11
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 91592744) is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(C(C)C)C(C)C)c2cc3ccccc3cc12)(CCCOC(F)(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 SIALDYNZMIAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52F14O2Si2/c1-31(2)67(32(3)4,23-13-21-65-45(51,47(53,54)55)48(56,57)58)25-19-39-41-27-35-15-9-11-17-37(35)29-43(41)40(44-30-38-18-12-10-16-36(38)28-42(39)44)20-26-68(33(5)6,34(7)8)24-14-22-66-46(52,49(59,60)61)50(62,63)64/h9-12,15-18,27-34H,13-14,21-24H2,1-8H3.
What are the key properties of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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?
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 17.01, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propyl-[2-[13-[2-[3-(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 91592744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).