CID 142753465

C44H52Si2 — CID 142753465

IUPAC—
SMILESCC[Si](CC)[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C44H52Si2/c1-11-45(12-2)46(41-29(3)27-39-35(15-13-17-37(39)41)31-19-23-33(24-20-31)43(5,6)7)42-30(4)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(8,9)10/h13-28,41-42H,11-12H2,1-10H3
InChIKeyKORWGADMWFSOKW-UHFFFAOYSA-N
MW637.07 g/mol
LogP12.50
Rot. Bonds7

About CID 142753465

CID 142753465 (PubChem CID 142753465) has the molecular formula C44H52Si2 and a molecular weight of 637.07 g/mol.

Molecular Properties

Compound NameCID 142753465
PubChem CID142753465
Molecular FormulaC44H52Si2
Molecular Weight637.07 g/mol
Exact Mass636.36
IUPAC Name—
SMILESCC[Si](CC)[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C44H52Si2/c1-11-45(12-2)46(41-29(3)27-39-35(15-13-17-37(39)41)31-19-23-33(24-20-31)43(5,6)7)42-30(4)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(8,9)10/h13-28,41-42H,11-12H2,1-10H3
InChIKeyKORWGADMWFSOKW-UHFFFAOYSA-N
XLogP12.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.07
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
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CID 162724348
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CID 71082782
CID 71082782
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
CID 173305494
CID 173305494
CID 70019143
CID 70019143
2-tert-butyl-4-(4-tert-butylphenyl)-1H-indene
CID 87188622
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline
CID 143486580
6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
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Frequently Asked Questions

What is the IUPAC name of CID 142753465?
The IUPAC name of CID 142753465 (CID 142753465) is not available.
What is the SMILES notation for CID 142753465?
The canonical SMILES for CID 142753465 is CC[Si](CC)[Si](C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.
What is the InChIKey of CID 142753465?
The InChIKey is KORWGADMWFSOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52Si2/c1-11-45(12-2)46(41-29(3)27-39-35(15-13-17-37(39)41)31-19-23-33(24-20-31)43(5,6)7)42-30(4)28-40-36(16-14-18-38(40)42)32-21-25-34(26-22-32)44(8,9)10/h13-28,41-42H,11-12H2,1-10H3.
What are the key properties of CID 142753465?
CID 142753465 has a molecular weight of 637.07 g/mol, XLogP of 12.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142753465 is sourced from PubChem (CID 142753465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).