2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane

C46H54Si — CID 155595892

IUPAC2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(CC1(C(c2ccccc2)(c2ccccc2)c2cc(C(C)(C)C)cc3c2Cc2ccc(C(C)(C)C)cc2-3)C=CC=C1)C[Si](C)(C)C
InChIInChI=1S/C46H54Si/c1-33(32-47(8,9)10)31-45(25-17-18-26-45)46(35-19-13-11-14-20-35,36-21-15-12-16-22-36)42-30-38(44(5,6)7)29-40-39-28-37(43(2,3)4)24-23-34(39)27-41(40)42/h11-26,28-30H,1,27,31-32H2,2-10H3
InChIKeyVSQHZGSWZSJICT-UHFFFAOYSA-N
MW635.02 g/mol
LogP12.58
Rot. Bonds8

About 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane

2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane (PubChem CID 155595892) has the molecular formula C46H54Si and a molecular weight of 635.02 g/mol. Its IUPAC name is 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane
PubChem CID155595892
Molecular FormulaC46H54Si
Molecular Weight635.02 g/mol
Exact Mass634.40
IUPAC Name2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(CC1(C(c2ccccc2)(c2ccccc2)c2cc(C(C)(C)C)cc3c2Cc2ccc(C(C)(C)C)cc2-3)C=CC=C1)C[Si](C)(C)C
InChIInChI=1S/C46H54Si/c1-33(32-47(8,9)10)31-45(25-17-18-26-45)46(35-19-13-11-14-20-35,36-21-15-12-16-22-36)42-30-38(44(5,6)7)29-40-39-28-37(43(2,3)4)24-23-34(39)27-41(40)42/h11-26,28-30H,1,27,31-32H2,2-10H3
InChIKeyVSQHZGSWZSJICT-UHFFFAOYSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.02
LogP ≤ 512.58
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane?
The IUPAC name of 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane (CID 155595892) is 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane.
What is the SMILES notation for 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane?
The canonical SMILES for 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane is C=C(CC1(C(c2ccccc2)(c2ccccc2)c2cc(C(C)(C)C)cc3c2Cc2ccc(C(C)(C)C)cc2-3)C=CC=C1)C[Si](C)(C)C.
What is the InChIKey of 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane?
The InChIKey is VSQHZGSWZSJICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54Si/c1-33(32-47(8,9)10)31-45(25-17-18-26-45)46(35-19-13-11-14-20-35,36-21-15-12-16-22-36)42-30-38(44(5,6)7)29-40-39-28-37(43(2,3)4)24-23-34(39)27-41(40)42/h11-26,28-30H,1,27,31-32H2,2-10H3.
What are the key properties of 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane?
2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane has a molecular weight of 635.02 g/mol, XLogP of 12.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,6-ditert-butyl-9H-fluoren-1-yl)-diphenylmethyl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 155595892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).