[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

C35H34Si — CID 174151684

IUPAC[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H34Si/c1-36(2,3)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)29-13-11-28(12-14-29)27-9-7-5-4-6-8-10-27/h4-7,9,11-26H,8,10H2,1-3H3/b6-4-,7-5-,27-9+
InChIKeyVQLTVYNHCRQDTR-OZZDRUDASA-N
MW482.74 g/mol
LogP9.52
Rot. Bonds5

About [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane

[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 174151684) has the molecular formula C35H34Si and a molecular weight of 482.74 g/mol. Its IUPAC name is [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID174151684
Molecular FormulaC35H34Si
Molecular Weight482.74 g/mol
Exact Mass482.24
IUPAC Name[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H34Si/c1-36(2,3)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)29-13-11-28(12-14-29)27-9-7-5-4-6-8-10-27/h4-7,9,11-26H,8,10H2,1-3H3/b6-4-,7-5-,27-9+
InChIKeyVQLTVYNHCRQDTR-OZZDRUDASA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.74
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 174151684) is [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C5=C/C=C\C=C/CC5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is VQLTVYNHCRQDTR-OZZDRUDASA-N. The full InChI is InChI=1S/C35H34Si/c1-36(2,3)35-25-23-34(24-26-35)33-21-19-32(20-22-33)31-17-15-30(16-18-31)29-13-11-28(12-14-29)27-9-7-5-4-6-8-10-27/h4-7,9,11-26H,8,10H2,1-3H3/b6-4-,7-5-,27-9+.
What are the key properties of [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 482.74 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 174151684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).