2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane

C46H70Si — CID 164935866

IUPAC2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(CC1CCC(C(c2ccccc2)(c2ccccc2)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1)C[Si](C)(C)C
InChIInChI=1S/C46H70Si/c1-32(31-47(8,9)10)27-33-21-22-38(28-33)46(34-17-13-11-14-18-34,35-19-15-12-16-20-35)43-41-29-36(44(2,3)4)23-25-39(41)40-26-24-37(30-42(40)43)45(5,6)7/h11-20,33,36-43H,1,21-31H2,2-10H3
InChIKeyXPTUYTAGDVVPRK-UHFFFAOYSA-N
MW651.15 g/mol
LogP13.46
Rot. Bonds8

About 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane

2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane (PubChem CID 164935866) has the molecular formula C46H70Si and a molecular weight of 651.15 g/mol. Its IUPAC name is 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane
PubChem CID164935866
Molecular FormulaC46H70Si
Molecular Weight651.15 g/mol
Exact Mass650.52
IUPAC Name2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(CC1CCC(C(c2ccccc2)(c2ccccc2)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1)C[Si](C)(C)C
InChIInChI=1S/C46H70Si/c1-32(31-47(8,9)10)27-33-21-22-38(28-33)46(34-17-13-11-14-18-34,35-19-15-12-16-20-35)43-41-29-36(44(2,3)4)23-25-39(41)40-26-24-37(30-42(40)43)45(5,6)7/h11-20,33,36-43H,1,21-31H2,2-10H3
InChIKeyXPTUYTAGDVVPRK-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.15
LogP ≤ 513.46
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'}

Analyze 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane with MolForge

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Related Compounds

2,7-ditert-butyl-9-[(4-tert-butyl-2-ethylcyclopentyl)-diphenylmethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123883503
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
(4-cyclopentyl-2-methylidenebutyl)-methyl-diphenylsilane
CID 162694845
(1R,2R,5S)-5-tert-butyl-2-phenyltellanylcyclohexan-1-ol
CID 101189092
2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140694745
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]cyclohexyl]propan-1-one
CID 118329134
2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91153190
2,7-ditert-butyl-9-[(3-pentylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140576056
9-[(3-but-3-enylcyclopentyl)-diphenylmethyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;chlorotitanium(3+)
CID 162277215
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
1,1,2-triphenyl-4-(trimethylsilylmethyl)pent-4-en-1-ol
CID 15527869
(1R,2S,4R)-2-(benzenesulfonyl)-4-tert-butylcyclohexan-1-ol
CID 15444149

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane?
The IUPAC name of 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane (CID 164935866) is 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane.
What is the SMILES notation for 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane?
The canonical SMILES for 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane is C=C(CC1CCC(C(c2ccccc2)(c2ccccc2)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1)C[Si](C)(C)C.
What is the InChIKey of 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane?
The InChIKey is XPTUYTAGDVVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H70Si/c1-32(31-47(8,9)10)27-33-21-22-38(28-33)46(34-17-13-11-14-18-34,35-19-15-12-16-20-35)43-41-29-36(44(2,3)4)23-25-39(41)40-26-24-37(30-42(40)43)45(5,6)7/h11-20,33,36-43H,1,21-31H2,2-10H3.
What are the key properties of 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane?
2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane has a molecular weight of 651.15 g/mol, XLogP of 13.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-diphenylmethyl]cyclopentyl]methyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 164935866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).