CID 139143904

C24H44Ge4N4O6S10 — CID 139143904

IUPAC—
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.O.O.O.O.O.O.S1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/2C12H14N2.Ge4S6.6H2O.4H2S/c2*1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;;;;;;;/h2*3-10H,1-2H3;;10*1H2/q2*+2;;;;;;;;;;;/p-4
InChIKeyPZHBUNDSLFXRIJ-UHFFFAOYSA-J
MW1095.75 g/mol
LogP-1.66
Rot. Bonds2

About CID 139143904

CID 139143904 (PubChem CID 139143904) has the molecular formula C24H44Ge4N4O6S10 and a molecular weight of 1095.75 g/mol.

Molecular Properties

Compound NameCID 139143904
PubChem CID139143904
Molecular FormulaC24H44Ge4N4O6S10
Molecular Weight1095.75 g/mol
Exact Mass1099.73
IUPAC Name—
SMILESC[n+]1ccc(-c2cc[n+](C)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.O.O.O.O.O.O.S1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/2C12H14N2.Ge4S6.6H2O.4H2S/c2*1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;;;;;;;/h2*3-10H,1-2H3;;10*1H2/q2*+2;;;;;;;;;;;/p-4
InChIKeyPZHBUNDSLFXRIJ-UHFFFAOYSA-J
XLogP-1.66
TPSA204.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001095.75
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 139143904?
The IUPAC name of CID 139143904 (CID 139143904) is not available.
What is the SMILES notation for CID 139143904?
The canonical SMILES for CID 139143904 is C[n+]1ccc(-c2cc[n+](C)cc2)cc1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1.O.O.O.O.O.O.S1[Ge]2S[Ge]3S[Ge]1S[Ge](S2)S3.[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139143904?
The InChIKey is PZHBUNDSLFXRIJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H14N2.Ge4S6.6H2O.4H2S/c2*1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;5-1-6-3-8-2(5)9-4(7-1)10-3;;;;;;;;;;/h2*3-10H,1-2H3;;10*1H2/q2*+2;;;;;;;;;;;/p-4.
What are the key properties of CID 139143904?
CID 139143904 has a molecular weight of 1095.75 g/mol, XLogP of -1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139143904 is sourced from PubChem (CID 139143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).