1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole

C42H34Si — CID 58963828

IUPAC1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole
SMILESC[Si]1(C)C(c2cccc(-c3ccccc3)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C42H34Si/c1-43(2)41(37-27-15-25-35(29-37)31-17-7-3-8-18-31)39(33-21-11-5-12-22-33)40(34-23-13-6-14-24-34)42(43)38-28-16-26-36(30-38)32-19-9-4-10-20-32/h3-30H,1-2H3
InChIKeyUNPXLBSFZCZDPQ-UHFFFAOYSA-N
MW566.82 g/mol
LogP11.34
Rot. Bonds6

About 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole

1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole (PubChem CID 58963828) has the molecular formula C42H34Si and a molecular weight of 566.82 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole.

Molecular Properties

Compound Name1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole
PubChem CID58963828
Molecular FormulaC42H34Si
Molecular Weight566.82 g/mol
Exact Mass566.24
IUPAC Name1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole
SMILESC[Si]1(C)C(c2cccc(-c3ccccc3)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C42H34Si/c1-43(2)41(37-27-15-25-35(29-37)31-17-7-3-8-18-31)39(33-21-11-5-12-22-33)40(34-23-13-6-14-24-34)42(43)38-28-16-26-36(30-38)32-19-9-4-10-20-32/h3-30H,1-2H3
InChIKeyUNPXLBSFZCZDPQ-UHFFFAOYSA-N
XLogP11.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole?
The IUPAC name of 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole (CID 58963828) is 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole.
What is the SMILES notation for 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole?
The canonical SMILES for 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole is C[Si]1(C)C(c2cccc(-c3ccccc3)c2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole?
The InChIKey is UNPXLBSFZCZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34Si/c1-43(2)41(37-27-15-25-35(29-37)31-17-7-3-8-18-31)39(33-21-11-5-12-22-33)40(34-23-13-6-14-24-34)42(43)38-28-16-26-36(30-38)32-19-9-4-10-20-32/h3-30H,1-2H3.
What are the key properties of 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole?
1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole has a molecular weight of 566.82 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-diphenyl-2,5-bis(3-phenylphenyl)silole is sourced from PubChem (CID 58963828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).