bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane

C37H38O2Si — CID 173198394

IUPACbis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane
SMILESCOc1ccc(C2C=CC=CC3=C2C=C(C)C3[SiH](C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H38O2Si/c1-24-22-34-30(26-14-18-28(38-3)19-15-26)10-6-8-12-32(34)36(24)40(5)37-25(2)23-35-31(11-7-9-13-33(35)37)27-16-20-29(39-4)21-17-27/h6-23,30-31,36-37,40H,1-5H3
InChIKeyLWRLAWPQFBLAMO-UHFFFAOYSA-N
MW542.80 g/mol
LogP8.93
Rot. Bonds6

About bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane

bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane (PubChem CID 173198394) has the molecular formula C37H38O2Si and a molecular weight of 542.80 g/mol. Its IUPAC name is bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane.

Molecular Properties

Compound Namebis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane
PubChem CID173198394
Molecular FormulaC37H38O2Si
Molecular Weight542.80 g/mol
Exact Mass542.26
IUPAC Namebis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane
SMILESCOc1ccc(C2C=CC=CC3=C2C=C(C)C3[SiH](C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C37H38O2Si/c1-24-22-34-30(26-14-18-28(38-3)19-15-26)10-6-8-12-32(34)36(24)40(5)37-25(2)23-35-31(11-7-9-13-33(35)37)27-16-20-29(39-4)21-17-27/h6-23,30-31,36-37,40H,1-5H3
InChIKeyLWRLAWPQFBLAMO-UHFFFAOYSA-N
XLogP8.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.80
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene
CID 87934909
CID 87935008
CID 87935008
CID 173198381
CID 173198381
(1S,6S)-8-methoxy-9-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
CID 98554044
(1S,6R)-8-methoxy-9-methyl-7-azabicyclo[4.2.2]deca-2,4,7,9-tetraene
CID 98554045
CID 87934535
CID 87934535
5-(4-methoxyphenyl)-6-sulfonylcyclohexa-1,3-diene-1-carbaldehyde
CID 173297310
3-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole
CID 154417745
ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
CID 143418654
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(4-methoxyphenyl)-1,2,5-trimethyl-3H-pyrazole
CID 71394330
dichlorozirconium;bis(trimethyl-[4-[2-methyl-1-[1-[2-methyl-4-(4-trimethylsilyloxyphenyl)-4H-azulen-1-id-1-yl]ethyl]-4H-azulen-1-id-4-yl]phenoxy]silane)
CID 87935102

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane?
The IUPAC name of bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane (CID 173198394) is bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane.
What is the SMILES notation for bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane?
The canonical SMILES for bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane is COc1ccc(C2C=CC=CC3=C2C=C(C)C3[SiH](C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1.
What is the InChIKey of bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane?
The InChIKey is LWRLAWPQFBLAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O2Si/c1-24-22-34-30(26-14-18-28(38-3)19-15-26)10-6-8-12-32(34)36(24)40(5)37-25(2)23-35-31(11-7-9-13-33(35)37)27-16-20-29(39-4)21-17-27/h6-23,30-31,36-37,40H,1-5H3.
What are the key properties of bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane?
bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane has a molecular weight of 542.80 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane is sourced from PubChem (CID 173198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).