tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane

C44H62Si2 — CID 172851784

IUPACtri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane
SMILESCC(C)[Si](CCc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1CC[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C44H62Si2/c1-29(2)45(30(3)4,31(5)6)19-17-37-23-41-27-43-25-39-21-35-15-13-14-16-36(35)22-40(39)26-44(43)28-42(41)24-38(37)18-20-46(32(7)8,33(9)10)34(11)12/h13-16,21-34H,17-20H2,1-12H3
InChIKeyYDYYLGZSCXHPBC-UHFFFAOYSA-N
MW647.15 g/mol
LogP14.74
Rot. Bonds12

About tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane

tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane (PubChem CID 172851784) has the molecular formula C44H62Si2 and a molecular weight of 647.15 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane
PubChem CID172851784
Molecular FormulaC44H62Si2
Molecular Weight647.15 g/mol
Exact Mass646.44
IUPAC Nametri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane
SMILESCC(C)[Si](CCc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1CC[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C44H62Si2/c1-29(2)45(30(3)4,31(5)6)19-17-37-23-41-27-43-25-39-21-35-15-13-14-16-36(35)22-40(39)26-44(43)28-42(41)24-38(37)18-20-46(32(7)8,33(9)10)34(11)12/h13-16,21-34H,17-20H2,1-12H3
InChIKeyYDYYLGZSCXHPBC-UHFFFAOYSA-N
XLogP14.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.15
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane (CID 172851784) is tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane is CC(C)[Si](CCc1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1CC[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane?
The InChIKey is YDYYLGZSCXHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62Si2/c1-29(2)45(30(3)4,31(5)6)19-17-37-23-41-27-43-25-39-21-35-15-13-14-16-36(35)22-40(39)26-44(43)28-42(41)24-38(37)18-20-46(32(7)8,33(9)10)34(11)12/h13-16,21-34H,17-20H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane?
tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane has a molecular weight of 647.15 g/mol, XLogP of 14.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[3-[2-tri(propan-2-yl)silylethyl]pentacen-2-yl]ethyl]silane is sourced from PubChem (CID 172851784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).