CID 140690246

C43H36N3Si — CID 140690246

IUPAC—
SMILESCC(C)(c1cccc(N2c3ccccc3CCc3ccc(-c4cccc5ccccc45)nc32)n1)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36N3Si/c1-43(2,47(34-18-5-3-6-19-34)35-20-7-4-8-21-35)40-25-14-26-41(45-40)46-39-24-12-10-16-32(39)27-28-33-29-30-38(44-42(33)46)37-23-13-17-31-15-9-11-22-36(31)37/h3-26,29-30H,27-28H2,1-2H3
InChIKeyUUTZDLOZSAWUJU-UHFFFAOYSA-N
MW622.87 g/mol
LogP8.99
Rot. Bonds6

About CID 140690246

CID 140690246 (PubChem CID 140690246) has the molecular formula C43H36N3Si and a molecular weight of 622.87 g/mol.

Molecular Properties

Compound NameCID 140690246
PubChem CID140690246
Molecular FormulaC43H36N3Si
Molecular Weight622.87 g/mol
Exact Mass622.27
IUPAC Name—
SMILESCC(C)(c1cccc(N2c3ccccc3CCc3ccc(-c4cccc5ccccc45)nc32)n1)[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C43H36N3Si/c1-43(2,47(34-18-5-3-6-19-34)35-20-7-4-8-21-35)40-25-14-26-41(45-40)46-39-24-12-10-16-32(39)27-28-33-29-30-38(44-42(33)46)37-23-13-17-31-15-9-11-22-36(31)37/h3-26,29-30H,27-28H2,1-2H3
InChIKeyUUTZDLOZSAWUJU-UHFFFAOYSA-N
XLogP8.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.87
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 140690246?
The IUPAC name of CID 140690246 (CID 140690246) is not available.
What is the SMILES notation for CID 140690246?
The canonical SMILES for CID 140690246 is CC(C)(c1cccc(N2c3ccccc3CCc3ccc(-c4cccc5ccccc45)nc32)n1)[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 140690246?
The InChIKey is UUTZDLOZSAWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36N3Si/c1-43(2,47(34-18-5-3-6-19-34)35-20-7-4-8-21-35)40-25-14-26-41(45-40)46-39-24-12-10-16-32(39)27-28-33-29-30-38(44-42(33)46)37-23-13-17-31-15-9-11-22-36(31)37/h3-26,29-30H,27-28H2,1-2H3.
What are the key properties of CID 140690246?
CID 140690246 has a molecular weight of 622.87 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140690246 is sourced from PubChem (CID 140690246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).