2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane

C36H38Si2 — CID 173015130

IUPAC2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane
SMILESCCC(C)(C)[SiH2]C#Cc1c2cc3ccccc3cc2c(C#C[SiH2]C(C)(C)CC)c2cc3ccccc3cc12
InChIInChI=1S/C36H38Si2/c1-7-35(3,4)37-19-17-29-31-21-25-13-9-11-15-27(25)23-33(31)30(18-20-38-36(5,6)8-2)34-24-28-16-12-10-14-26(28)22-32(29)34/h9-16,21-24H,7-8,37-38H2,1-6H3
InChIKeyMWBCLWZOLBLMKE-UHFFFAOYSA-N
MW526.87 g/mol
LogP8.47
Rot. Bonds4

About 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane

2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane (PubChem CID 173015130) has the molecular formula C36H38Si2 and a molecular weight of 526.87 g/mol. Its IUPAC name is 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane.

Molecular Properties

Compound Name2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane
PubChem CID173015130
Molecular FormulaC36H38Si2
Molecular Weight526.87 g/mol
Exact Mass526.25
IUPAC Name2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane
SMILESCCC(C)(C)[SiH2]C#Cc1c2cc3ccccc3cc2c(C#C[SiH2]C(C)(C)CC)c2cc3ccccc3cc12
InChIInChI=1S/C36H38Si2/c1-7-35(3,4)37-19-17-29-31-21-25-13-9-11-15-27(25)23-33(31)30(18-20-38-36(5,6)8-2)34-24-28-16-12-10-14-26(28)22-32(29)34/h9-16,21-24H,7-8,37-38H2,1-6H3
InChIKeyMWBCLWZOLBLMKE-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 58.47
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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Related Compounds

6,13-bis(prop-1-ynyl)pentacene
CID 15530601
2-[13-[2-[diethyl(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl-diethyl-propan-2-ylsilane
CID 91570455
anthracene;benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene;propane
CID 161162660
but-1-enyl-[2-[13-[2-[but-1-enyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane
CID 90737082
2-[5,14-bis(prop-1-ynyl)pentacen-2-yl]-5,14-bis(prop-1-ynyl)pentacene
CID 59779458
1-[2-[13-[2-[acetyl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl-di(propan-2-yl)silyl]ethanone
CID 58202769
9,10-bis(3,3-dimethylbut-1-ynyl)anthracene
CID 102219495
7-fluoro-2,12-bis(3-methoxy-3-methylbut-1-ynyl)-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15,17,19-decaene
CID 129120015
anthracene;(E)-hex-3-ene;propane
CID 144562643
1,4-dibutoxyanthracene-2,3-dicarbonitrile
CID 118040405
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
3-anthracen-1-ylpentan-3-ylphosphane
CID 175417389

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane?
The IUPAC name of 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane (CID 173015130) is 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane.
What is the SMILES notation for 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane?
The canonical SMILES for 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane is CCC(C)(C)[SiH2]C#Cc1c2cc3ccccc3cc2c(C#C[SiH2]C(C)(C)CC)c2cc3ccccc3cc12.
What is the InChIKey of 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane?
The InChIKey is MWBCLWZOLBLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Si2/c1-7-35(3,4)37-19-17-29-31-21-25-13-9-11-15-27(25)23-33(31)30(18-20-38-36(5,6)8-2)34-24-28-16-12-10-14-26(28)22-32(29)34/h9-16,21-24H,7-8,37-38H2,1-6H3.
What are the key properties of 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane?
2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane has a molecular weight of 526.87 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl-[2-[13-[2-(2-methylbutan-2-ylsilyl)ethynyl]pentacen-6-yl]ethynyl]silane is sourced from PubChem (CID 173015130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).