CID 174047362

C30H27FN3O2Si — CID 174047362

IUPAC—
SMILESCc1ccc(OC[C@]2([Si])CCN2)cc1C(=O)NC1(c2cc(-c3ccc(F)cc3)cc3ncccc23)CC1
InChIInChI=1S/C30H27FN3O2Si/c1-19-4-9-23(36-18-30(37)12-14-33-30)17-25(19)28(35)34-29(10-11-29)26-15-21(20-5-7-22(31)8-6-20)16-27-24(26)3-2-13-32-27/h2-9,13,15-17,33H,10-12,14,18H2,1H3,(H,34,35)/t30-/m1/s1
InChIKeyVPZRRQIBCHUKCU-SSEXGKCCSA-N
MW508.65 g/mol
LogP5.01
Rot. Bonds7

About CID 174047362

CID 174047362 (PubChem CID 174047362) has the molecular formula C30H27FN3O2Si and a molecular weight of 508.65 g/mol.

Molecular Properties

Compound NameCID 174047362
PubChem CID174047362
Molecular FormulaC30H27FN3O2Si
Molecular Weight508.65 g/mol
Exact Mass508.19
IUPAC Name—
SMILESCc1ccc(OC[C@]2([Si])CCN2)cc1C(=O)NC1(c2cc(-c3ccc(F)cc3)cc3ncccc23)CC1
InChIInChI=1S/C30H27FN3O2Si/c1-19-4-9-23(36-18-30(37)12-14-33-30)17-25(19)28(35)34-29(10-11-29)26-15-21(20-5-7-22(31)8-6-20)16-27-24(26)3-2-13-32-27/h2-9,13,15-17,33H,10-12,14,18H2,1H3,(H,34,35)/t30-/m1/s1
InChIKeyVPZRRQIBCHUKCU-SSEXGKCCSA-N
XLogP5.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.65
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 174047362?
The IUPAC name of CID 174047362 (CID 174047362) is not available.
What is the SMILES notation for CID 174047362?
The canonical SMILES for CID 174047362 is Cc1ccc(OC[C@]2([Si])CCN2)cc1C(=O)NC1(c2cc(-c3ccc(F)cc3)cc3ncccc23)CC1.
What is the InChIKey of CID 174047362?
The InChIKey is VPZRRQIBCHUKCU-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H27FN3O2Si/c1-19-4-9-23(36-18-30(37)12-14-33-30)17-25(19)28(35)34-29(10-11-29)26-15-21(20-5-7-22(31)8-6-20)16-27-24(26)3-2-13-32-27/h2-9,13,15-17,33H,10-12,14,18H2,1H3,(H,34,35)/t30-/m1/s1.
What are the key properties of CID 174047362?
CID 174047362 has a molecular weight of 508.65 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174047362 is sourced from PubChem (CID 174047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).