(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

C38H62Si — CID 162291559

IUPAC(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1C(C)C(C)C2C(C1C)C(C)C(C)C2[Si](C)(C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C38H62Si/c1-21-22(2)24(4)34-33(23(21)3)25(5)26(6)35(34)39(13,14)36-31-19-27(37(7,8)9)15-17-29(31)30-18-16-28(20-32(30)36)38(10,11)12/h15-26,29-36H,1-14H3
InChIKeyKNTZBGOVJFWYJS-UHFFFAOYSA-N
MW547.00 g/mol
LogP11.07
Rot. Bonds2

About (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane

(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (PubChem CID 162291559) has the molecular formula C38H62Si and a molecular weight of 547.00 g/mol. Its IUPAC name is (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
PubChem CID162291559
Molecular FormulaC38H62Si
Molecular Weight547.00 g/mol
Exact Mass546.46
IUPAC Name(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
SMILESCC1C(C)C(C)C2C(C1C)C(C)C(C)C2[Si](C)(C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21
InChIInChI=1S/C38H62Si/c1-21-22(2)24(4)34-33(23(21)3)25(5)26(6)35(34)39(13,14)36-31-19-27(37(7,8)9)15-17-29(31)30-18-16-28(20-32(30)36)38(10,11)12/h15-26,29-36H,1-14H3
InChIKeyKNTZBGOVJFWYJS-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.00
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane with MolForge

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Related Compounds

2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59637812
3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 155154681
dimethyl-[(2R,3R)-2,3,4,5-tetramethylcyclopentyl]-[(2R,4R,5R)-2,3,4,5-tetramethylcyclopentyl]silane
CID 58150598
3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59153577
2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140577060
4-tert-butyl-1,2-dimethyl-2H-pyridine
CID 161108135
2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162270932
but-3-enyl-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethylsilane
CID 59637840
carbanide;2,7-ditert-butyl-9-(1-cyclopentylcyclohexyl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;zirconium(4+)
CID 23281341
N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
CID 139699532
carbanide;[[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)phenyl]-di(propan-2-yl)-λ5-phosphanylidene]azanide;titanium(4+)
CID 171437847
2,4-ditert-butyl-6-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-2-methylprop-1-enyl]phenol
CID 166025891

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane (CID 162291559) is (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is CC1C(C)C(C)C2C(C1C)C(C)C(C)C2[Si](C)(C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.
What is the InChIKey of (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
The InChIKey is KNTZBGOVJFWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62Si/c1-21-22(2)24(4)34-33(23(21)3)25(5)26(6)35(34)39(13,14)36-31-19-27(37(7,8)9)15-17-29(31)30-18-16-28(20-32(30)36)38(10,11)12/h15-26,29-36H,1-14H3.
What are the key properties of (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane?
(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane has a molecular weight of 547.00 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 162291559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).