CID 23364814

C29H39ClF3Si2 — CID 23364814

IUPAC—
SMILESCCCC[Si]1(C)CCC(CC[Si]2CCC(c3ccc(-c4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C29H39ClF3Si2/c1-3-4-15-35(2)16-10-21(11-17-35)7-12-34-13-8-22(9-14-34)23-5-6-25(26(31)18-23)24-19-27(32)29(30)28(33)20-24/h5-6,18-22H,3-4,7-17H2,1-2H3
InChIKeyQUFQUNPKRHFVGX-UHFFFAOYSA-N
MW536.25 g/mol
LogP10.48
Rot. Bonds8

About CID 23364814

CID 23364814 (PubChem CID 23364814) has the molecular formula C29H39ClF3Si2 and a molecular weight of 536.25 g/mol.

Molecular Properties

Compound NameCID 23364814
PubChem CID23364814
Molecular FormulaC29H39ClF3Si2
Molecular Weight536.25 g/mol
Exact Mass535.22
IUPAC Name—
SMILESCCCC[Si]1(C)CCC(CC[Si]2CCC(c3ccc(-c4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C29H39ClF3Si2/c1-3-4-15-35(2)16-10-21(11-17-35)7-12-34-13-8-22(9-14-34)23-5-6-25(26(31)18-23)24-19-27(32)29(30)28(33)20-24/h5-6,18-22H,3-4,7-17H2,1-2H3
InChIKeyQUFQUNPKRHFVGX-UHFFFAOYSA-N
XLogP10.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.25
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23364814?
The IUPAC name of CID 23364814 (CID 23364814) is not available.
What is the SMILES notation for CID 23364814?
The canonical SMILES for CID 23364814 is CCCC[Si]1(C)CCC(CC[Si]2CCC(c3ccc(-c4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)CC1.
What is the InChIKey of CID 23364814?
The InChIKey is QUFQUNPKRHFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39ClF3Si2/c1-3-4-15-35(2)16-10-21(11-17-35)7-12-34-13-8-22(9-14-34)23-5-6-25(26(31)18-23)24-19-27(32)29(30)28(33)20-24/h5-6,18-22H,3-4,7-17H2,1-2H3.
What are the key properties of CID 23364814?
CID 23364814 has a molecular weight of 536.25 g/mol, XLogP of 10.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23364814 is sourced from PubChem (CID 23364814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).