2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane

C55H65NSi2 — CID 177420706

IUPAC2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)n1C)(C(C)C)C(C)C
InChIInChI=1S/C55H65NSi2/c1-38(2)57(39(3)4,40(5)6)36-34-48-54-52(46-30-22-16-23-31-46)50(44-26-18-14-19-27-44)51(45-28-20-15-21-29-45)53(47-32-24-17-25-33-47)55(54)49(56(48)13)35-37-58(41(7)8,42(9)10)43(11)12/h14-33,38-43H,1-13H3
InChIKeyNMKJQRRKCVKOPM-UHFFFAOYSA-N
MW796.30 g/mol
LogP15.99
Rot. Bonds10

About 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane

2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 177420706) has the molecular formula C55H65NSi2 and a molecular weight of 796.30 g/mol. Its IUPAC name is 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID177420706
Molecular FormulaC55H65NSi2
Molecular Weight796.30 g/mol
Exact Mass795.47
IUPAC Name2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)n1C)(C(C)C)C(C)C
InChIInChI=1S/C55H65NSi2/c1-38(2)57(39(3)4,40(5)6)36-34-48-54-52(46-30-22-16-23-31-46)50(44-26-18-14-19-27-44)51(45-28-20-15-21-29-45)53(47-32-24-17-25-33-47)55(54)49(56(48)13)35-37-58(41(7)8,42(9)10)43(11)12/h14-33,38-43H,1-13H3
InChIKeyNMKJQRRKCVKOPM-UHFFFAOYSA-N
XLogP15.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.30
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-4-[2-tri(propan-2-yl)silylethynyl]aniline;4-ethynyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158079930
2-(6-benzyl-3-phenyl-5-pyrrolidin-1-yl-2H-azepin-4-yl)ethynyl-tri(propan-2-yl)silane
CID 177442151
1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
CID 73211982
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
CID 56958696
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CID 24827241
9,18-bis[2-tri(propan-2-yl)silylethynyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
CID 102442250
[(Z)-3,4-diphenyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967832
2-(2-ethynyl-4-phenylimidazol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101479437
2-methyl-8-[2-tri(propan-2-yl)silylethynyl]isoquinolin-1-one
CID 132602501
tri(propan-2-yl)-[2-[4-[2-[4-[2-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 102510770

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane (CID 177420706) is 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)n1C)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is NMKJQRRKCVKOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H65NSi2/c1-38(2)57(39(3)4,40(5)6)36-34-48-54-52(46-30-22-16-23-31-46)50(44-26-18-14-19-27-44)51(45-28-20-15-21-29-45)53(47-32-24-17-25-33-47)55(54)49(56(48)13)35-37-58(41(7)8,42(9)10)43(11)12/h14-33,38-43H,1-13H3.
What are the key properties of 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane?
2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 796.30 g/mol, XLogP of 15.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4,5,6,7-tetraphenyl-3-[2-tri(propan-2-yl)silylethynyl]isoindol-1-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 177420706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).