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

C40H50Br2Si2 — CID 134953997

IUPAC2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3ccccc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H50Br2Si2/c1-25(2)43(26(3)4,27(5)6)19-17-33-35-21-31-15-13-14-16-32(31)22-36(35)34(38-24-40(42)39(41)23-37(33)38)18-20-44(28(7)8,29(9)10)30(11)12/h13-16,21-30H,1-12H3
InChIKeyNXTFNXVSDWWNTD-UHFFFAOYSA-N
MW746.82 g/mol
LogP13.81
Rot. Bonds6

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

2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 134953997) has the molecular formula C40H50Br2Si2 and a molecular weight of 746.82 g/mol. Its IUPAC name is 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID134953997
Molecular FormulaC40H50Br2Si2
Molecular Weight746.82 g/mol
Exact Mass744.18
IUPAC Name2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3ccccc3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H50Br2Si2/c1-25(2)43(26(3)4,27(5)6)19-17-33-35-21-31-15-13-14-16-32(31)22-36(35)34(38-24-40(42)39(41)23-37(33)38)18-20-44(28(7)8,29(9)10)30(11)12/h13-16,21-30H,1-12H3
InChIKeyNXTFNXVSDWWNTD-UHFFFAOYSA-N
XLogP13.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.82
LogP ≤ 513.81
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

2,7-Dibromopyrene
CID 13615479
2,7-Dibromotriphenylene
CID 16122224
2,8-Dibromochrysene
CID 3016536
2-(6-Bromonaphthalen-2-yl)ethynyl-triethylsilane
CID 10807465
2-Bromo-6-(2-phenylethynyl)naphthalene
CID 10852232
2,3-Dibromotetracene
CID 13949795
2-Bromo-7,12-dimethylbenz(a)anthracene
CID 127585
3-Bromo-7,12-dimethylbenz(a)anthracene
CID 127586
2,3-Dibromo-1,4-diphenylnaphthalene
CID 14738622
Dibromotetracene
CID 17799736
9,10-Dibromopentacene
CID 22061719
1,2-Dibromopyrene
CID 22451004

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane (CID 134953997) is 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c2cc(Br)c(Br)cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3ccccc3cc12)(C(C)C)C(C)C.
What is the InChIKey of 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is NXTFNXVSDWWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50Br2Si2/c1-25(2)43(26(3)4,27(5)6)19-17-33-35-21-31-15-13-14-16-32(31)22-36(35)34(38-24-40(42)39(41)23-37(33)38)18-20-44(28(7)8,29(9)10)30(11)12/h13-16,21-30H,1-12H3.
What are the key properties of 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane?
2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 746.82 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dibromo-12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 134953997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).