bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane

C44H52Si — CID 101367915

IUPACbis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane
SMILESCC1=CC2=C(C(C(C)(C)C)C=CC=C2c2ccccc2)C1[Si](C)(C)C1C(C)=CC2=C1C(C(C)(C)C)C=CC=C2c1ccccc1
InChIInChI=1S/C44H52Si/c1-29-27-35-33(31-19-13-11-14-20-31)23-17-25-37(43(3,4)5)39(35)41(29)45(9,10)42-30(2)28-36-34(32-21-15-12-16-22-32)24-18-26-38(40(36)42)44(6,7)8/h11-28,37-38,41-42H,1-10H3
InChIKeyZEKWBFKQFOVOPJ-UHFFFAOYSA-N
MW608.99 g/mol
LogP12.58
Rot. Bonds4

About bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane

bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane (PubChem CID 101367915) has the molecular formula C44H52Si and a molecular weight of 608.99 g/mol. Its IUPAC name is bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane
PubChem CID101367915
Molecular FormulaC44H52Si
Molecular Weight608.99 g/mol
Exact Mass608.38
IUPAC Namebis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane
SMILESCC1=CC2=C(C(C(C)(C)C)C=CC=C2c2ccccc2)C1[Si](C)(C)C1C(C)=CC2=C1C(C(C)(C)C)C=CC=C2c1ccccc1
InChIInChI=1S/C44H52Si/c1-29-27-35-33(31-19-13-11-14-20-31)23-17-25-37(43(3,4)5)39(35)41(29)45(9,10)42-30(2)28-36-34(32-21-15-12-16-22-32)24-18-26-38(40(36)42)44(6,7)8/h11-28,37-38,41-42H,1-10H3
InChIKeyZEKWBFKQFOVOPJ-UHFFFAOYSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.99
LogP ≤ 512.58
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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(5-tert-butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
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5-methoxy-6-methylidene-1-phenylcyclohexa-1,3-diene
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dimethyl-bis(2-methyl-8-phenyl-3H-cyclopenta[b][1]benzothiol-3-yl)silane
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trimethyl-(4-methylidene-2-phenylcyclobut-2-en-1-yl)silane
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(3,5-dimethylphenyl)-dimethyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane
CID 173384079
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
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1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
CID 100952067
(1Z)-2,2-dimethyl-1-(2-phenylcyclopenta-2,4-dien-1-ylidene)propane-1-thiolate
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Frequently Asked Questions

What is the IUPAC name of bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane?
The IUPAC name of bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane (CID 101367915) is bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane.
What is the SMILES notation for bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane?
The canonical SMILES for bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane is CC1=CC2=C(C(C(C)(C)C)C=CC=C2c2ccccc2)C1[Si](C)(C)C1C(C)=CC2=C1C(C(C)(C)C)C=CC=C2c1ccccc1.
What is the InChIKey of bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane?
The InChIKey is ZEKWBFKQFOVOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H52Si/c1-29-27-35-33(31-19-13-11-14-20-31)23-17-25-37(43(3,4)5)39(35)41(29)45(9,10)42-30(2)28-36-34(32-21-15-12-16-22-32)24-18-26-38(40(36)42)44(6,7)8/h11-28,37-38,41-42H,1-10H3.
What are the key properties of bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane?
bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane has a molecular weight of 608.99 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-tert-butyl-2-methyl-4-phenyl-1,8-dihydroazulen-1-yl)-dimethylsilane is sourced from PubChem (CID 101367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).