CID 139137651

C30H44GeN2 — CID 139137651

IUPAC
SMILESC[Ge]N(/C(C)=C\C(C)=N\c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H44GeN2/c1-19(2)25-14-12-15-26(20(3)4)29(25)32-23(9)18-24(10)33(31-11)30-27(21(5)6)16-13-17-28(30)22(7)8/h12-22H,1-11H3/b24-18-,32-23+
InChIKeyUOEUDANMWZAHLY-GWBPTSGBSA-N
MW505.31 g/mol
LogP9.35
Rot. Bonds9

About CID 139137651

CID 139137651 (PubChem CID 139137651) has the molecular formula C30H44GeN2 and a molecular weight of 505.31 g/mol.

Molecular Properties

Compound NameCID 139137651
PubChem CID139137651
Molecular FormulaC30H44GeN2
Molecular Weight505.31 g/mol
Exact Mass506.27
IUPAC Name
SMILESC[Ge]N(/C(C)=C\C(C)=N\c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C30H44GeN2/c1-19(2)25-14-12-15-26(20(3)4)29(25)32-23(9)18-24(10)33(31-11)30-27(21(5)6)16-13-17-28(30)22(7)8/h12-22H,1-11H3/b24-18-,32-23+
InChIKeyUOEUDANMWZAHLY-GWBPTSGBSA-N
XLogP9.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.31
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139137651?
The IUPAC name of CID 139137651 (CID 139137651) is not available.
What is the SMILES notation for CID 139137651?
The canonical SMILES for CID 139137651 is C[Ge]N(/C(C)=C\C(C)=N\c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 139137651?
The InChIKey is UOEUDANMWZAHLY-GWBPTSGBSA-N. The full InChI is InChI=1S/C30H44GeN2/c1-19(2)25-14-12-15-26(20(3)4)29(25)32-23(9)18-24(10)33(31-11)30-27(21(5)6)16-13-17-28(30)22(7)8/h12-22H,1-11H3/b24-18-,32-23+.
What are the key properties of CID 139137651?
CID 139137651 has a molecular weight of 505.31 g/mol, XLogP of 9.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139137651 is sourced from PubChem (CID 139137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).