CID 119077465

C27H21Si — CID 119077465

IUPAC—
SMILESC1=C[C@H]([Si]([C@H]2C=Cc3ccccc32)[C@H]2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C27H21Si/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27/h1-18,25-27H/t25-,26-,27-/m0/s1
InChIKeyPDQIJIKYMIEHTJ-QKDODKLFSA-N
MW373.55 g/mol
LogP6.53
Rot. Bonds3

About CID 119077465

CID 119077465 (PubChem CID 119077465) has the molecular formula C27H21Si and a molecular weight of 373.55 g/mol.

Molecular Properties

Compound NameCID 119077465
PubChem CID119077465
Molecular FormulaC27H21Si
Molecular Weight373.55 g/mol
Exact Mass373.14
IUPAC Name—
SMILESC1=C[C@H]([Si]([C@H]2C=Cc3ccccc32)[C@H]2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C27H21Si/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27/h1-18,25-27H/t25-,26-,27-/m0/s1
InChIKeyPDQIJIKYMIEHTJ-QKDODKLFSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.55
LogP ≤ 56.53
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 CID 119077465?
The IUPAC name of CID 119077465 (CID 119077465) is not available.
What is the SMILES notation for CID 119077465?
The canonical SMILES for CID 119077465 is C1=C[C@H]([Si]([C@H]2C=Cc3ccccc32)[C@H]2C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of CID 119077465?
The InChIKey is PDQIJIKYMIEHTJ-QKDODKLFSA-N. The full InChI is InChI=1S/C27H21Si/c1-4-10-22-19(7-1)13-16-25(22)28(26-17-14-20-8-2-5-11-23(20)26)27-18-15-21-9-3-6-12-24(21)27/h1-18,25-27H/t25-,26-,27-/m0/s1.
What are the key properties of CID 119077465?
CID 119077465 has a molecular weight of 373.55 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119077465 is sourced from PubChem (CID 119077465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).