tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane

C40H48Br4Si2 — CID 134954089

IUPACtri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc(Br)c(Br)cc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H48Br4Si2/c1-23(2)45(24(3)4,25(5)6)15-13-31-33-17-29-19-37(41)38(42)20-30(29)18-34(33)32(36-22-40(44)39(43)21-35(31)36)14-16-46(26(7)8,27(9)10)28(11)12/h17-28H,1-12H3
InChIKeyANMXPQXYUVKZIJ-UHFFFAOYSA-N
MW904.61 g/mol
LogP15.34
Rot. Bonds6

About tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane

tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane (PubChem CID 134954089) has the molecular formula C40H48Br4Si2 and a molecular weight of 904.61 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane
PubChem CID134954089
Molecular FormulaC40H48Br4Si2
Molecular Weight904.61 g/mol
Exact Mass900.00
IUPAC Nametri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc(Br)c(Br)cc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H48Br4Si2/c1-23(2)45(24(3)4,25(5)6)15-13-31-33-17-29-19-37(41)38(42)20-30(29)18-34(33)32(36-22-40(44)39(43)21-35(31)36)14-16-46(26(7)8,27(9)10)28(11)12/h17-28H,1-12H3
InChIKeyANMXPQXYUVKZIJ-UHFFFAOYSA-N
XLogP15.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.61
LogP ≤ 515.34
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

2,3,6,7,10,11-Hexabromotriphenylene
CID 11083045
2-(6-Bromonaphthalen-2-yl)ethynyl-triethylsilane
CID 10807465
2,3-Dibromotetracene
CID 13949795
Agn-PC-0N62XM
CID 10532051
9,10-Bis((triisopropylsilyl)ethynyl)-2,7-dibromoanthracene
CID 57567772
2,3,9,10-Tetrabromopentacene
CID 90775518
6,25-Dibromo-11,20,34,39-tetradodecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16(29),17,19,21,23,25,27,30,32,34,36,38,40-henicosaene
CID 101089177
2-[2,9-Dibromo-13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 101432251
2-[2,10-Dibromo-13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 101432252
2,6-Di-bromo-9,10-bis((4-hexylphenyl)ethynyl)anthracene
CID 101516521
2,6-Dibromo-9,10-bis(4-dodecylphenyl)anthracene
CID 101858167
[(8-Bromotetracene-5,12-diyl)bis(ethyne-2,1-diyl)]bis(triisopropylsilane)
CID 138393431

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane (CID 134954089) is tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc(Br)c(Br)cc3cc12)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane?
The InChIKey is ANMXPQXYUVKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48Br4Si2/c1-23(2)45(24(3)4,25(5)6)15-13-31-33-17-29-19-37(41)38(42)20-30(29)18-34(33)32(36-22-40(44)39(43)21-35(31)36)14-16-46(26(7)8,27(9)10)28(11)12/h17-28H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane has a molecular weight of 904.61 g/mol, XLogP of 15.34, 6 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-[2,3,8,9-tetrabromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane is sourced from PubChem (CID 134954089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).