7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene

C34H30Si — CID 10790388

IUPAC7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene
SMILESCC1=C(C)C[Si]2(C1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C34H30Si/c1-25-23-35(24-26(25)2)33(29-19-11-5-12-20-29)31(27-15-7-3-8-16-27)32(28-17-9-4-10-18-28)34(35)30-21-13-6-14-22-30/h3-22H,23-24H2,1-2H3
InChIKeyBNRNYYMSQQLUAN-UHFFFAOYSA-N
MW466.70 g/mol
LogP9.10
Rot. Bonds4

About 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene

7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene (PubChem CID 10790388) has the molecular formula C34H30Si and a molecular weight of 466.70 g/mol. Its IUPAC name is 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene.

Molecular Properties

Compound Name7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene
PubChem CID10790388
Molecular FormulaC34H30Si
Molecular Weight466.70 g/mol
Exact Mass466.21
IUPAC Name7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene
SMILESCC1=C(C)C[Si]2(C1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C34H30Si/c1-25-23-35(24-26(25)2)33(29-19-11-5-12-20-29)31(27-15-7-3-8-16-27)32(28-17-9-4-10-18-28)34(35)30-21-13-6-14-22-30/h3-22H,23-24H2,1-2H3
InChIKeyBNRNYYMSQQLUAN-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.70
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene?
The IUPAC name of 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene (CID 10790388) is 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene.
What is the SMILES notation for 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene?
The canonical SMILES for 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene is CC1=C(C)C[Si]2(C1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene?
The InChIKey is BNRNYYMSQQLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30Si/c1-25-23-35(24-26(25)2)33(29-19-11-5-12-20-29)31(27-15-7-3-8-16-27)32(28-17-9-4-10-18-28)34(35)30-21-13-6-14-22-30/h3-22H,23-24H2,1-2H3.
What are the key properties of 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene?
7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene has a molecular weight of 466.70 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene is sourced from PubChem (CID 10790388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).