propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane

C48H54Si2 — CID 140938444

IUPACpropan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane
SMILESC=C(C)[Si](C#Cc1c2cc3c(C)ccc(C)c3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3c(C)ccc(C)c3cc12)(C(=C)C)C(C)C
InChIInChI=1S/C48H54Si2/c1-29(2)49(30(3)4,31(5)6)23-21-39-45-25-41-35(13)17-19-37(15)43(41)27-47(45)40(22-24-50(32(7)8,33(9)10)34(11)12)48-28-44-38(16)20-18-36(14)42(44)26-46(39)48/h17-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-16H3
InChIKeyIBQZGONZKFKITC-UHFFFAOYSA-N
MW687.13 g/mol
LogP13.49
Rot. Bonds6

About propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane

propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane (PubChem CID 140938444) has the molecular formula C48H54Si2 and a molecular weight of 687.13 g/mol. Its IUPAC name is propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Namepropan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane
PubChem CID140938444
Molecular FormulaC48H54Si2
Molecular Weight687.13 g/mol
Exact Mass686.38
IUPAC Namepropan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane
SMILESC=C(C)[Si](C#Cc1c2cc3c(C)ccc(C)c3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3c(C)ccc(C)c3cc12)(C(=C)C)C(C)C
InChIInChI=1S/C48H54Si2/c1-29(2)49(30(3)4,31(5)6)23-21-39-45-25-41-35(13)17-19-37(15)43(41)27-47(45)40(22-24-50(32(7)8,33(9)10)34(11)12)48-28-44-38(16)20-18-36(14)42(44)26-46(39)48/h17-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-16H3
InChIKeyIBQZGONZKFKITC-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.13
LogP ≤ 513.49
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-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane?
The IUPAC name of propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane (CID 140938444) is propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane?
The canonical SMILES for propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane is C=C(C)[Si](C#Cc1c2cc3c(C)ccc(C)c3cc2c(C#C[Si](C(=C)C)(C(=C)C)C(C)C)c2cc3c(C)ccc(C)c3cc12)(C(=C)C)C(C)C.
What is the InChIKey of propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane?
The InChIKey is IBQZGONZKFKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54Si2/c1-29(2)49(30(3)4,31(5)6)23-21-39-45-25-41-35(13)17-19-37(15)43(41)27-47(45)40(22-24-50(32(7)8,33(9)10)34(11)12)48-28-44-38(16)20-18-36(14)42(44)26-46(39)48/h17-20,25-28,31,34H,1,3,7,9H2,2,4-6,8,10-16H3.
What are the key properties of propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane?
propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane has a molecular weight of 687.13 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-bis(prop-1-en-2-yl)-[2-[1,4,8,11-tetramethyl-13-[2-[propan-2-yl-bis(prop-1-en-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 140938444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).