CID 45115451

C33H47ClN4P2Si3Te — CID 45115451

IUPAC—
SMILESC[Si](C)(C)N=P(N=[Te](Cl)N([Si](C)(C)C)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H47ClN4P2Si3Te/c1-41(2,3)35-39(30-22-14-10-15-23-30,31-24-16-11-17-25-31)37-44(34)38(43(7,8)9)40(36-42(4,5)6,32-26-18-12-19-27-32)33-28-20-13-21-29-33/h10-29H,1-9H3
InChIKeyPIJWZPLRQCPYTL-UHFFFAOYSA-N
MW809.03 g/mol
LogP9.82
Rot. Bonds10

About CID 45115451

CID 45115451 (PubChem CID 45115451) has the molecular formula C33H47ClN4P2Si3Te and a molecular weight of 809.03 g/mol.

Molecular Properties

Compound NameCID 45115451
PubChem CID45115451
Molecular FormulaC33H47ClN4P2Si3Te
Molecular Weight809.03 g/mol
Exact Mass810.13
IUPAC Name—
SMILESC[Si](C)(C)N=P(N=[Te](Cl)N([Si](C)(C)C)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H47ClN4P2Si3Te/c1-41(2,3)35-39(30-22-14-10-15-23-30,31-24-16-11-17-25-31)37-44(34)38(43(7,8)9)40(36-42(4,5)6,32-26-18-12-19-27-32)33-28-20-13-21-29-33/h10-29H,1-9H3
InChIKeyPIJWZPLRQCPYTL-UHFFFAOYSA-N
XLogP9.82
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 45115451?
The IUPAC name of CID 45115451 (CID 45115451) is not available.
What is the SMILES notation for CID 45115451?
The canonical SMILES for CID 45115451 is C[Si](C)(C)N=P(N=[Te](Cl)N([Si](C)(C)C)P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 45115451?
The InChIKey is PIJWZPLRQCPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47ClN4P2Si3Te/c1-41(2,3)35-39(30-22-14-10-15-23-30,31-24-16-11-17-25-31)37-44(34)38(43(7,8)9)40(36-42(4,5)6,32-26-18-12-19-27-32)33-28-20-13-21-29-33/h10-29H,1-9H3.
What are the key properties of CID 45115451?
CID 45115451 has a molecular weight of 809.03 g/mol, XLogP of 9.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45115451 is sourced from PubChem (CID 45115451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).