[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane

C36H36Si2 — CID 16723468

IUPAC[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C36H36Si2/c1-37(2,3)35-33(31-27-19-11-7-15-23(27)24-16-8-12-20-28(24)31)34(36(35)38(4,5)6)32-29-21-13-9-17-25(29)26-18-10-14-22-30(26)32/h7-22,35-36H,1-6H3/t35-,36-/m0/s1
InChIKeyVFKGKECQIVXXTR-ZPGRZCPFSA-N
MW524.86 g/mol
LogP10.38
Rot. Bonds2

About [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane

[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane (PubChem CID 16723468) has the molecular formula C36H36Si2 and a molecular weight of 524.86 g/mol. Its IUPAC name is [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
PubChem CID16723468
Molecular FormulaC36H36Si2
Molecular Weight524.86 g/mol
Exact Mass524.24
IUPAC Name[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C36H36Si2/c1-37(2,3)35-33(31-27-19-11-7-15-23(27)24-16-8-12-20-28(24)31)34(36(35)38(4,5)6)32-29-21-13-9-17-25(29)26-18-10-14-22-30(26)32/h7-22,35-36H,1-6H3/t35-,36-/m0/s1
InChIKeyVFKGKECQIVXXTR-ZPGRZCPFSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.86
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
CID 132603146
9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
CID 16723223
9-[(3S,4S)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
CID 91157268
biphenylene;hydron
CID 173077542
trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
CID 122210293
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
(1,3-dibromoazulen-2-yl)-trimethylsilane
CID 11175760
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
2-fluoren-9-ylidene-4,5-dimethyl-1,3-dithiole
CID 86191028
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
biphenylene;propan-2-one
CID 174440223
2-benzofuran-1,3-dione
CID 123741998

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane?
The IUPAC name of [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane (CID 16723468) is [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane.
What is the SMILES notation for [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane?
The canonical SMILES for [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane is C[Si](C)(C)[C@H]1C(=C2c3ccccc3-c3ccccc32)C(=C2c3ccccc3-c3ccccc32)[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane?
The InChIKey is VFKGKECQIVXXTR-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H36Si2/c1-37(2,3)35-33(31-27-19-11-7-15-23(27)24-16-8-12-20-28(24)31)34(36(35)38(4,5)6)32-29-21-13-9-17-25(29)26-18-10-14-22-30(26)32/h7-22,35-36H,1-6H3/t35-,36-/m0/s1.
What are the key properties of [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane?
[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane has a molecular weight of 524.86 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane is sourced from PubChem (CID 16723468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).