[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane

C46H54Si2 — CID 142753386

IUPAC[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane
SMILESCC[Si](CC)=[Si](C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21)C1C(c2ccc(C(C)(C)C)cc2C2CC2)=Cc2ccccc21
InChIInChI=1S/C46H54Si2/c1-10-47(11-2)48(43-37-18-14-12-16-32(37)27-41(43)36-24-22-34(26-30(36)3)45(4,5)6)44-38-19-15-13-17-33(38)28-42(44)39-25-23-35(46(7,8)9)29-40(39)31-20-21-31/h12-19,22-29,31,43-44H,10-11,20-21H2,1-9H3
InChIKeyAVLOMCLLHHEJLD-UHFFFAOYSA-N
MW663.11 g/mol
LogP12.63
Rot. Bonds7

About [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane

[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane (PubChem CID 142753386) has the molecular formula C46H54Si2 and a molecular weight of 663.11 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane
PubChem CID142753386
Molecular FormulaC46H54Si2
Molecular Weight663.11 g/mol
Exact Mass662.38
IUPAC Name[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane
SMILESCC[Si](CC)=[Si](C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21)C1C(c2ccc(C(C)(C)C)cc2C2CC2)=Cc2ccccc21
InChIInChI=1S/C46H54Si2/c1-10-47(11-2)48(43-37-18-14-12-16-32(37)27-41(43)36-24-22-34(26-30(36)3)45(4,5)6)44-38-19-15-13-17-33(38)28-42(44)39-25-23-35(46(7,8)9)29-40(39)31-20-21-31/h12-19,22-29,31,43-44H,10-11,20-21H2,1-9H3
InChIKeyAVLOMCLLHHEJLD-UHFFFAOYSA-N
XLogP12.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.11
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 153316897
CID 153316897
diethyl-[[3-(furan-2-yl)-2-phenyl-1H-inden-1-yl]-[2-(2-methylphenyl)-1H-inden-1-yl]silylidene]silane
CID 142753380
3,6-ditert-butyl-9-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 91296033
CID 174992277
CID 174992277
2,10-ditert-butyltetraphenylene
CID 159208403
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
CID 116963215
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
4-tert-butyl-1-chloro-2-cyclopropylbenzene
CID 122594497
2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 101223256
N,4-ditert-butyl-2-cyclopropylaniline
CID 130287728
CID 173206026
CID 173206026
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane?
The IUPAC name of [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane (CID 142753386) is [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane.
What is the SMILES notation for [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane?
The canonical SMILES for [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane is CC[Si](CC)=[Si](C1C(c2ccc(C(C)(C)C)cc2C)=Cc2ccccc21)C1C(c2ccc(C(C)(C)C)cc2C2CC2)=Cc2ccccc21.
What is the InChIKey of [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane?
The InChIKey is AVLOMCLLHHEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54Si2/c1-10-47(11-2)48(43-37-18-14-12-16-32(37)27-41(43)36-24-22-34(26-30(36)3)45(4,5)6)44-38-19-15-13-17-33(38)28-42(44)39-25-23-35(46(7,8)9)29-40(39)31-20-21-31/h12-19,22-29,31,43-44H,10-11,20-21H2,1-9H3.
What are the key properties of [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane?
[2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane has a molecular weight of 663.11 g/mol, XLogP of 12.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butyl-2-cyclopropylphenyl)-1H-inden-1-yl]-[2-(4-tert-butyl-2-methylphenyl)-1H-inden-1-yl]-diethylsilylidenesilane is sourced from PubChem (CID 142753386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).