[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

C44H65F2N3OSi — CID 137327300

IUPAC[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
SMILESCCCCCC(C)CCCCCCC(C)[SiH2]c1cc(-c2ncc(-c3ccc(CCCCCCCCCC4CC4)cc3)cn2)nc2c1OCC2(F)F
InChIInChI=1S/C44H65F2N3OSi/c1-4-5-13-18-33(2)19-14-11-12-15-20-34(3)51-40-29-39(49-42-41(40)50-32-44(42,45)46)43-47-30-38(31-48-43)37-27-25-36(26-28-37)22-17-10-8-6-7-9-16-21-35-23-24-35/h25-31,33-35H,4-24,32,51H2,1-3H3
InChIKeyNWEWXQLSIAAOPP-UHFFFAOYSA-N
MW718.11 g/mol
LogP11.92
Rot. Bonds25

About [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

[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 (PubChem CID 137327300) has the molecular formula C44H65F2N3OSi and a molecular weight of 718.11 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID137327300
Molecular FormulaC44H65F2N3OSi
Molecular Weight718.11 g/mol
Exact Mass717.49
IUPAC Name[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
SMILESCCCCCC(C)CCCCCCC(C)[SiH2]c1cc(-c2ncc(-c3ccc(CCCCCCCCCC4CC4)cc3)cn2)nc2c1OCC2(F)F
InChIInChI=1S/C44H65F2N3OSi/c1-4-5-13-18-33(2)19-14-11-12-15-20-34(3)51-40-29-39(49-42-41(40)50-32-44(42,45)46)43-47-30-38(31-48-43)37-27-25-36(26-28-37)22-17-10-8-6-7-9-16-21-35-23-24-35/h25-31,33-35H,4-24,32,51H2,1-3H3
InChIKeyNWEWXQLSIAAOPP-UHFFFAOYSA-N
XLogP11.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.11
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
CID 19858862
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
CID 19050334
CID 19050334
5-(7-methylnonyl)-2-(4-undecylphenyl)pyrimidine
CID 139803515
2-[4-(8-methyldecyl)phenyl]-5-octylpyrimidine
CID 139803510
5-(9-methylundecyl)-2-(4-tridecylphenyl)pyrimidine
CID 139803508
5-(9-methylundecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803495

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCCC(C)CCCCCCC(C)[SiH2]c1cc(-c2ncc(-c3ccc(CCCCCCCCCC4CC4)cc3)cn2)nc2c1OCC2(F)F.
What is the InChIKey of [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?
The InChIKey is NWEWXQLSIAAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H65F2N3OSi/c1-4-5-13-18-33(2)19-14-11-12-15-20-34(3)51-40-29-39(49-42-41(40)50-32-44(42,45)46)43-47-30-38(31-48-43)37-27-25-36(26-28-37)22-17-10-8-6-7-9-16-21-35-23-24-35/h25-31,33-35H,4-24,32,51H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 718.11 g/mol, XLogP of 11.92, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 137327300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).