CID 6396783

C62H76Ge2N4P4Se2Si4 — CID 6396783

IUPAC—
SMILESC[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Se].[Se]
InChIInChI=1S/2C31H38GeN2P2Si2.2Se/c2*1-37(2,3)33-35(27-19-11-7-12-20-27,28-21-13-8-14-22-28)31(32)36(34-38(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;;/h2*7-26H,1-6H3;;
InChIKeyAGLABRCHBMXHHF-UHFFFAOYSA-N
MW1416.70 g/mol
LogP14.47
Rot. Bonds16

About CID 6396783

CID 6396783 (PubChem CID 6396783) has the molecular formula C62H76Ge2N4P4Se2Si4 and a molecular weight of 1416.70 g/mol.

Molecular Properties

Compound NameCID 6396783
PubChem CID6396783
Molecular FormulaC62H76Ge2N4P4Se2Si4
Molecular Weight1416.70 g/mol
Exact Mass1420.09
IUPAC Name—
SMILESC[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Se].[Se]
InChIInChI=1S/2C31H38GeN2P2Si2.2Se/c2*1-37(2,3)33-35(27-19-11-7-12-20-27,28-21-13-8-14-22-28)31(32)36(34-38(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;;/h2*7-26H,1-6H3;;
InChIKeyAGLABRCHBMXHHF-UHFFFAOYSA-N
XLogP14.47
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001416.70
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6396783?
The IUPAC name of CID 6396783 (CID 6396783) is not available.
What is the SMILES notation for CID 6396783?
The canonical SMILES for CID 6396783 is C[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)N=P(C(=[Ge])P(=N[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Se].[Se].
What is the InChIKey of CID 6396783?
The InChIKey is AGLABRCHBMXHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H38GeN2P2Si2.2Se/c2*1-37(2,3)33-35(27-19-11-7-12-20-27,28-21-13-8-14-22-28)31(32)36(34-38(4,5)6,29-23-15-9-16-24-29)30-25-17-10-18-26-30;;/h2*7-26H,1-6H3;;.
What are the key properties of CID 6396783?
CID 6396783 has a molecular weight of 1416.70 g/mol, XLogP of 14.47, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6396783 is sourced from PubChem (CID 6396783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).