5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane

C80H57BrN2O4Si — CID 159928474

IUPAC5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane
SMILESC#Cc1ccc2ccccc2c1.CC#Cc1ccc2ccccc2c1.C[Si](C)(C)C#Cc1ccc2ccccc2c1.O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1.O=C1c2ccc(C#Cc3ccc4ccccc4c3)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C26H15NO2.C15H16Si.C14H8BrNO2.C13H10.C12H8/c28-25-23-15-13-19(11-10-18-12-14-20-6-4-5-7-21(20)16-18)17-24(23)26(29)27(25)22-8-2-1-3-9-22;1-16(2,3)11-10-13-8-9-14-6-4-5-7-15(14)12-13;15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1-9,12-17H;4-9,12H,1-3H3;1-8H;3-4,6-10H,1H3;1,3-9H
InChIKeyNZIGZRJFEWJMDT-UHFFFAOYSA-N
MW1218.34 g/mol
LogP18.39
Rot. Bonds2

About 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane

5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane (PubChem CID 159928474) has the molecular formula C80H57BrN2O4Si and a molecular weight of 1218.34 g/mol. Its IUPAC name is 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane.

Molecular Properties

Compound Name5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane
PubChem CID159928474
Molecular FormulaC80H57BrN2O4Si
Molecular Weight1218.34 g/mol
Exact Mass1216.33
IUPAC Name5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane
SMILESC#Cc1ccc2ccccc2c1.CC#Cc1ccc2ccccc2c1.C[Si](C)(C)C#Cc1ccc2ccccc2c1.O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1.O=C1c2ccc(C#Cc3ccc4ccccc4c3)cc2C(=O)N1c1ccccc1
InChIInChI=1S/C26H15NO2.C15H16Si.C14H8BrNO2.C13H10.C12H8/c28-25-23-15-13-19(11-10-18-12-14-20-6-4-5-7-21(20)16-18)17-24(23)26(29)27(25)22-8-2-1-3-9-22;1-16(2,3)11-10-13-8-9-14-6-4-5-7-15(14)12-13;15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1-9,12-17H;4-9,12H,1-3H3;1-8H;3-4,6-10H,1H3;1,3-9H
InChIKeyNZIGZRJFEWJMDT-UHFFFAOYSA-N
XLogP18.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.34
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane?
The IUPAC name of 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane (CID 159928474) is 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane.
What is the SMILES notation for 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane?
The canonical SMILES for 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane is C#Cc1ccc2ccccc2c1.CC#Cc1ccc2ccccc2c1.C[Si](C)(C)C#Cc1ccc2ccccc2c1.O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1.O=C1c2ccc(C#Cc3ccc4ccccc4c3)cc2C(=O)N1c1ccccc1.
What is the InChIKey of 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane?
The InChIKey is NZIGZRJFEWJMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15NO2.C15H16Si.C14H8BrNO2.C13H10.C12H8/c28-25-23-15-13-19(11-10-18-12-14-20-6-4-5-7-21(20)16-18)17-24(23)26(29)27(25)22-8-2-1-3-9-22;1-16(2,3)11-10-13-8-9-14-6-4-5-7-15(14)12-13;15-9-6-7-11-12(8-9)14(18)16(13(11)17)10-4-2-1-3-5-10;1-2-5-11-8-9-12-6-3-4-7-13(12)10-11;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1-9,12-17H;4-9,12H,1-3H3;1-8H;3-4,6-10H,1H3;1,3-9H.
What are the key properties of 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane?
5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane has a molecular weight of 1218.34 g/mol, XLogP of 18.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylisoindole-1,3-dione;2-ethynylnaphthalene;5-(2-naphthalen-2-ylethynyl)-2-phenylisoindole-1,3-dione;2-prop-1-ynylnaphthalene;trimethyl(2-naphthalen-2-ylethynyl)silane is sourced from PubChem (CID 159928474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).