propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane

C44H46Si2 — CID 58202754

IUPACpropan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane
SMILESC=C(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3ccccc3cc12)(C(=C)C)C(C)C
InChIInChI=1S/C44H46Si2/c1-29(2)45(30(3)4,31(5)6)23-21-39-41-25-35-17-13-15-19-37(35)27-43(41)40(22-24-46(32(7)8,33(9)10)34(11)12)44-28-38-20-16-14-18-36(38)26-42(39)44/h13-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-12H3
InChIKeyLAADIWWPEZJMKX-UHFFFAOYSA-N
MW631.02 g/mol
LogP12.26
Rot. Bonds6

About propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane

propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane (PubChem CID 58202754) has the molecular formula C44H46Si2 and a molecular weight of 631.02 g/mol. Its IUPAC name is propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane.

Molecular Properties

Compound Namepropan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane
PubChem CID58202754
Molecular FormulaC44H46Si2
Molecular Weight631.02 g/mol
Exact Mass630.31
IUPAC Namepropan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane
SMILESC=C(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3ccccc3cc12)(C(=C)C)C(C)C
InChIInChI=1S/C44H46Si2/c1-29(2)45(30(3)4,31(5)6)23-21-39-41-25-35-17-13-15-19-37(35)27-43(41)40(22-24-46(32(7)8,33(9)10)34(11)12)44-28-38-20-16-14-18-36(38)26-42(39)44/h13-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-12H3
InChIKeyLAADIWWPEZJMKX-UHFFFAOYSA-N
XLogP12.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.02
LogP ≤ 512.26
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane?
The IUPAC name of propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane (CID 58202754) is propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane.
What is the SMILES notation for propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane?
The canonical SMILES for propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane is C=C(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3ccccc3cc12)(C(=C)C)C(C)C.
What is the InChIKey of propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane?
The InChIKey is LAADIWWPEZJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46Si2/c1-29(2)45(30(3)4,31(5)6)23-21-39-41-25-35-17-13-15-19-37(35)27-43(41)40(22-24-46(32(7)8,33(9)10)34(11)12)44-28-38-20-16-14-18-36(38)26-42(39)44/h13-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-12H3.
What are the key properties of propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane?
propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane has a molecular weight of 631.02 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[2-[13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-bis(prop-1-en-2-yl)silane is sourced from PubChem (CID 58202754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).