CID 173421543

C114H96Ge9 — CID 173421543

IUPAC—
SMILES[GeH].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1
InChIInChI=1S/3C18H15Ge.5C12H10Ge.GeH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h3*1-15H;5*1-10H;1H
InChIKeyRHICLESSHUGXBC-UHFFFAOYSA-N
MW2119.51 g/mol
LogP12.67
Rot. Bonds19

About CID 173421543

CID 173421543 (PubChem CID 173421543) has the molecular formula C114H96Ge9 and a molecular weight of 2119.51 g/mol.

Molecular Properties

Compound NameCID 173421543
PubChem CID173421543
Molecular FormulaC114H96Ge9
Molecular Weight2119.51 g/mol
Exact Mass2130.04
IUPAC Name—
SMILES[GeH].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1
InChIInChI=1S/3C18H15Ge.5C12H10Ge.GeH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h3*1-15H;5*1-10H;1H
InChIKeyRHICLESSHUGXBC-UHFFFAOYSA-N
XLogP12.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002119.51
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173421543?
The IUPAC name of CID 173421543 (CID 173421543) is not available.
What is the SMILES notation for CID 173421543?
The canonical SMILES for CID 173421543 is [GeH].c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.c1ccc([Ge]c2ccccc2)cc1.
What is the InChIKey of CID 173421543?
The InChIKey is RHICLESSHUGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15Ge.5C12H10Ge.GeH/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h3*1-15H;5*1-10H;1H.
What are the key properties of CID 173421543?
CID 173421543 has a molecular weight of 2119.51 g/mol, XLogP of 12.67, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173421543 is sourced from PubChem (CID 173421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).