[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

C40H40Si — CID 174151841

IUPAC[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C6/C=CC=CC6CCCC5)cc4)c3)cc2)c1
InChIInChI=1S/C40H40Si/c1-41(2,3)40-17-9-16-39(29-40)36-26-24-35(25-27-36)38-15-8-14-37(28-38)34-22-20-33(21-23-34)32-13-7-5-11-30-10-4-6-12-31(30)18-19-32/h4,6,8-10,12,14-30H,5,7,11,13H2,1-3H3/b31-18-,32-19+
InChIKeyBMYDEOCHZZRCKV-ACZHWQJQSA-N
MW548.85 g/mol
LogP10.86
Rot. Bonds5

About [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 174151841) has the molecular formula C40H40Si and a molecular weight of 548.85 g/mol. Its IUPAC name is [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID174151841
Molecular FormulaC40H40Si
Molecular Weight548.85 g/mol
Exact Mass548.29
IUPAC Name[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C6/C=CC=CC6CCCC5)cc4)c3)cc2)c1
InChIInChI=1S/C40H40Si/c1-41(2,3)40-17-9-16-39(29-40)36-26-24-35(25-27-36)38-15-8-14-37(28-38)34-22-20-33(21-23-34)32-13-7-5-11-30-10-4-6-12-31(30)18-19-32/h4,6,8-10,12,14-30H,5,7,11,13H2,1-3H3/b31-18-,32-19+
InChIKeyBMYDEOCHZZRCKV-ACZHWQJQSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.85
LogP ≤ 510.86
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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trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
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5-[3-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),19-decaene
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Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 174151841) is [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2ccc(-c3cccc(-c4ccc(/C5=C/C=C6/C=CC=CC6CCCC5)cc4)c3)cc2)c1.
What is the InChIKey of [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is BMYDEOCHZZRCKV-ACZHWQJQSA-N. The full InChI is InChI=1S/C40H40Si/c1-41(2,3)40-17-9-16-39(29-40)36-26-24-35(25-27-36)38-15-8-14-37(28-38)34-22-20-33(21-23-34)32-13-7-5-11-30-10-4-6-12-31(30)18-19-32/h4,6,8-10,12,14-30H,5,7,11,13H2,1-3H3/b31-18-,32-19+.
What are the key properties of [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
[3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 548.85 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-[4-[(4aZ,6E)-9,10,11,11a-tetrahydro-8H-benzo[9]annulen-7-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 174151841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).