1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole

C28H30Si — CID 123399072

IUPAC1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole
SMILESC1=CCC(C2=C[SiH](C3C=CC=CC3)C(C3C=CC=CC3)=C2C2C=CC=CC2)C=C1
InChIInChI=1S/C28H30Si/c1-5-13-22(14-6-1)26-21-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-13,15,17,19,21-25,29H,14,16,18,20H2
InChIKeySVPHEAPOJBAFQB-UHFFFAOYSA-N
MW394.63 g/mol
LogP6.81
Rot. Bonds4

About 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole

1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole (PubChem CID 123399072) has the molecular formula C28H30Si and a molecular weight of 394.63 g/mol. Its IUPAC name is 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole.

Molecular Properties

Compound Name1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole
PubChem CID123399072
Molecular FormulaC28H30Si
Molecular Weight394.63 g/mol
Exact Mass394.21
IUPAC Name1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole
SMILESC1=CCC(C2=C[SiH](C3C=CC=CC3)C(C3C=CC=CC3)=C2C2C=CC=CC2)C=C1
InChIInChI=1S/C28H30Si/c1-5-13-22(14-6-1)26-21-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-13,15,17,19,21-25,29H,14,16,18,20H2
InChIKeySVPHEAPOJBAFQB-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 56.81
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 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole?
The IUPAC name of 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole (CID 123399072) is 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole.
What is the SMILES notation for 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole?
The canonical SMILES for 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole is C1=CCC(C2=C[SiH](C3C=CC=CC3)C(C3C=CC=CC3)=C2C2C=CC=CC2)C=C1.
What is the InChIKey of 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole?
The InChIKey is SVPHEAPOJBAFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Si/c1-5-13-22(14-6-1)26-21-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-13,15,17,19,21-25,29H,14,16,18,20H2.
What are the key properties of 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole?
1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole has a molecular weight of 394.63 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetra(cyclohexa-2,4-dien-1-yl)-1H-silole is sourced from PubChem (CID 123399072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).