CID 177441876

C45H67GeNPS — CID 177441876

IUPAC—
SMILES[CH]P(/C(=N/c1ccccc1)S[Ge](c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C45H67GeNPS/c1-29(2)32-25-35(30(3)4)39(36(26-32)31(5)6)46(45(16,17)18)49-41(47-34-23-21-20-22-24-34)48(19)40-37(43(10,11)12)27-33(42(7,8)9)28-38(40)44(13,14)15/h19-31H,1-18H3/b47-41-
InChIKeyGEBXFNNHXQPKPH-LOKWYOQLSA-N
MW757.69 g/mol
LogP13.84
Rot. Bonds8

About CID 177441876

CID 177441876 (PubChem CID 177441876) has the molecular formula C45H67GeNPS and a molecular weight of 757.69 g/mol.

Molecular Properties

Compound NameCID 177441876
PubChem CID177441876
Molecular FormulaC45H67GeNPS
Molecular Weight757.69 g/mol
Exact Mass758.39
IUPAC Name—
SMILES[CH]P(/C(=N/c1ccccc1)S[Ge](c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C45H67GeNPS/c1-29(2)32-25-35(30(3)4)39(36(26-32)31(5)6)46(45(16,17)18)49-41(47-34-23-21-20-22-24-34)48(19)40-37(43(10,11)12)27-33(42(7,8)9)28-38(40)44(13,14)15/h19-31H,1-18H3/b47-41-
InChIKeyGEBXFNNHXQPKPH-LOKWYOQLSA-N
XLogP13.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.69
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 177441876 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 177441876?
The IUPAC name of CID 177441876 (CID 177441876) is not available.
What is the SMILES notation for CID 177441876?
The canonical SMILES for CID 177441876 is [CH]P(/C(=N/c1ccccc1)S[Ge](c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of CID 177441876?
The InChIKey is GEBXFNNHXQPKPH-LOKWYOQLSA-N. The full InChI is InChI=1S/C45H67GeNPS/c1-29(2)32-25-35(30(3)4)39(36(26-32)31(5)6)46(45(16,17)18)49-41(47-34-23-21-20-22-24-34)48(19)40-37(43(10,11)12)27-33(42(7,8)9)28-38(40)44(13,14)15/h19-31H,1-18H3/b47-41-.
What are the key properties of CID 177441876?
CID 177441876 has a molecular weight of 757.69 g/mol, XLogP of 13.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177441876 is sourced from PubChem (CID 177441876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).