CID 19050285

C45H63F3N2OSi — CID 19050285

IUPAC—
SMILESCCCCCC(C)CCCCC(C)CC[Si]c1ccccc1-c1cnc(-c2ccc3c(c2F)C(F)(F)C(CCCCCCCCCC2CC2)O3)nc1
InChIInChI=1S/C45H63F3N2OSi/c1-4-5-11-18-33(2)19-14-15-20-34(3)29-30-52-40-23-17-16-22-37(40)36-31-49-44(50-32-36)38-27-28-39-42(43(38)46)45(47,48)41(51-39)24-13-10-8-6-7-9-12-21-35-25-26-35/h16-17,22-23,27-28,31-35,41H,4-15,18-21,24-26,29-30H2,1-3H3
InChIKeyGNRRCIFTFDMYMS-UHFFFAOYSA-N
MW733.09 g/mol
LogP13.27
Rot. Bonds25

About CID 19050285

CID 19050285 (PubChem CID 19050285) has the molecular formula C45H63F3N2OSi and a molecular weight of 733.09 g/mol.

Molecular Properties

Compound NameCID 19050285
PubChem CID19050285
Molecular FormulaC45H63F3N2OSi
Molecular Weight733.09 g/mol
Exact Mass732.47
IUPAC Name—
SMILESCCCCCC(C)CCCCC(C)CC[Si]c1ccccc1-c1cnc(-c2ccc3c(c2F)C(F)(F)C(CCCCCCCCCC2CC2)O3)nc1
InChIInChI=1S/C45H63F3N2OSi/c1-4-5-11-18-33(2)19-14-15-20-34(3)29-30-52-40-23-17-16-22-37(40)36-31-49-44(50-32-36)38-27-28-39-42(43(38)46)45(47,48)41(51-39)24-13-10-8-6-7-9-12-21-35-25-26-35/h16-17,22-23,27-28,31-35,41H,4-15,18-21,24-26,29-30H2,1-3H3
InChIKeyGNRRCIFTFDMYMS-UHFFFAOYSA-N
XLogP13.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.09
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 19050285 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-butoxybutoxy)phenyl]-2-(3,3,4-trifluoro-2-heptyl-2H-1-benzofuran-5-yl)pyrimidine
CID 19050271
5-(4-heptylphenyl)-2-[3,3,4-trifluoro-2-(4-hexoxybutyl)-2H-1-benzofuran-5-yl]pyrimidine
CID 19050336
CID 19050469
CID 19050469
CID 19050258
CID 19050258
CID 19050334
CID 19050334
CID 19050471
CID 19050471
CID 22412707
CID 22412707
5-[5-[4-(6-cyclopropylhexoxy)phenyl]pyrimidin-2-yl]-2-(9-cyclopropylnonyl)-3,3-difluoro-2H-furo[3,2-b]pyridine
CID 19050322
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
[5-[5-[4-(9-cyclopropylnonyl)phenyl]pyrimidin-2-yl]-3,3-difluoro-2H-furo[3,2-b]pyridin-7-yl]-(9-methyltetradecan-2-yl)silane
CID 137327300
3,3-difluoro-2-heptyl-5-[5-(4-octoxyphenyl)pyrimidin-2-yl]-2H-furo[3,2-b]pyridine
CID 19050461
1-(2-methylheptoxy)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539361

Frequently Asked Questions

What is the IUPAC name of CID 19050285?
The IUPAC name of CID 19050285 (CID 19050285) is not available.
What is the SMILES notation for CID 19050285?
The canonical SMILES for CID 19050285 is CCCCCC(C)CCCCC(C)CC[Si]c1ccccc1-c1cnc(-c2ccc3c(c2F)C(F)(F)C(CCCCCCCCCC2CC2)O3)nc1.
What is the InChIKey of CID 19050285?
The InChIKey is GNRRCIFTFDMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H63F3N2OSi/c1-4-5-11-18-33(2)19-14-15-20-34(3)29-30-52-40-23-17-16-22-37(40)36-31-49-44(50-32-36)38-27-28-39-42(43(38)46)45(47,48)41(51-39)24-13-10-8-6-7-9-12-21-35-25-26-35/h16-17,22-23,27-28,31-35,41H,4-15,18-21,24-26,29-30H2,1-3H3.
What are the key properties of CID 19050285?
CID 19050285 has a molecular weight of 733.09 g/mol, XLogP of 13.27, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19050285 is sourced from PubChem (CID 19050285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).