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

C44H52Si — CID 18672948

IUPAC[4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC([Si](C)(C)C)=CC3)c1C2CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H52Si/c1-42(2,3)33-22-24-36-38(26-33)39-28-34(43(4,5)6)27-37(30-21-23-35(25-30)45(8,9)10)41(39)40(36)29-44(7,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,22-28,40H,21,29H2,1-10H3
InChIKeyBVFSHFTZTCKVIZ-UHFFFAOYSA-N
MW608.99 g/mol
LogP12.38
Rot. Bonds6

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

[4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane (PubChem CID 18672948) has the molecular formula C44H52Si and a molecular weight of 608.99 g/mol. Its IUPAC name is [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
PubChem CID18672948
Molecular FormulaC44H52Si
Molecular Weight608.99 g/mol
Exact Mass608.38
IUPAC Name[4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC([Si](C)(C)C)=CC3)c1C2CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H52Si/c1-42(2,3)33-22-24-36-38(26-33)39-28-34(43(4,5)6)27-37(30-21-23-35(25-30)45(8,9)10)41(39)40(36)29-44(7,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,22-28,40H,21,29H2,1-10H3
InChIKeyBVFSHFTZTCKVIZ-UHFFFAOYSA-N
XLogP12.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.99
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane (CID 18672948) is [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC([Si](C)(C)C)=CC3)c1C2CC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?
The InChIKey is BVFSHFTZTCKVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52Si/c1-42(2,3)33-22-24-36-38(26-33)39-28-34(43(4,5)6)27-37(30-21-23-35(25-30)45(8,9)10)41(39)40(36)29-44(7,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-20,22-28,40H,21,29H2,1-10H3.
What are the key properties of [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?
[4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane has a molecular weight of 608.99 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,6-ditert-butyl-9-(2,2-diphenylpropyl)-9H-fluoren-1-yl]cyclopenta-1,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 18672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).