[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

C40H72GeSi6 — CID 102463714

IUPAC[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Ge]23C=Cc4ccccc4C2CC=CC3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C40H72GeSi6/c1-42(2,3)38(43(4,5)6)32-29-34(39(44(7,8)9)45(10,11)12)37(35(30-32)40(46(13,14)15)47(16,17)18)41-27-22-21-25-36(41)33-24-20-19-23-31(33)26-28-41/h19-24,26,28-30,36,38-40H,25,27H2,1-18H3
InChIKeyMMJRXQCDARBKTI-UHFFFAOYSA-N
MW794.14 g/mol
LogP12.71
Rot. Bonds10

About [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane

[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 102463714) has the molecular formula C40H72GeSi6 and a molecular weight of 794.14 g/mol. Its IUPAC name is [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Name[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID102463714
Molecular FormulaC40H72GeSi6
Molecular Weight794.14 g/mol
Exact Mass794.35
IUPAC Name[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Ge]23C=Cc4ccccc4C2CC=CC3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
InChIInChI=1S/C40H72GeSi6/c1-42(2,3)38(43(4,5)6)32-29-34(39(44(7,8)9)45(10,11)12)37(35(30-32)40(46(13,14)15)47(16,17)18)41-27-22-21-25-36(41)33-24-20-19-23-31(33)26-28-41/h19-24,26,28-30,36,38-40H,25,27H2,1-18H3
InChIKeyMMJRXQCDARBKTI-UHFFFAOYSA-N
XLogP12.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.14
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane (CID 102463714) is [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Ge]23C=Cc4ccccc4C2CC=CC3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is MMJRXQCDARBKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72GeSi6/c1-42(2,3)38(43(4,5)6)32-29-34(39(44(7,8)9)45(10,11)12)37(35(30-32)40(46(13,14)15)47(16,17)18)41-27-22-21-25-36(41)33-24-20-19-23-31(33)26-28-41/h19-24,26,28-30,36,38-40H,25,27H2,1-18H3.
What are the key properties of [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane?
[[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 794.14 g/mol, XLogP of 12.71, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4,11b-dihydro-1H-germino[2,1-a][2]benzogermin-5-yl)-3,5-bis[bis(trimethylsilyl)methyl]phenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 102463714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).