CID 6398141

C48H54Ge3 — CID 6398141

IUPAC—
SMILESCc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C
InChIInChI=1S/3C16H18Ge/c3*1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h3*5-10H,1-4H3
InChIKeyAUHQHYCKMGRXQC-UHFFFAOYSA-N
MW848.79 g/mol
LogP7.73
Rot. Bonds6

About CID 6398141

CID 6398141 (PubChem CID 6398141) has the molecular formula C48H54Ge3 and a molecular weight of 848.79 g/mol.

Molecular Properties

Compound NameCID 6398141
PubChem CID6398141
Molecular FormulaC48H54Ge3
Molecular Weight848.79 g/mol
Exact Mass852.19
IUPAC Name—
SMILESCc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C
InChIInChI=1S/3C16H18Ge/c3*1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h3*5-10H,1-4H3
InChIKeyAUHQHYCKMGRXQC-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.79
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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vanadium;1,2-xylene
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Frequently Asked Questions

What is the IUPAC name of CID 6398141?
The IUPAC name of CID 6398141 (CID 6398141) is not available.
What is the SMILES notation for CID 6398141?
The canonical SMILES for CID 6398141 is Cc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C.Cc1cccc(C)c1[Ge]c1c(C)cccc1C.
What is the InChIKey of CID 6398141?
The InChIKey is AUHQHYCKMGRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H18Ge/c3*1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h3*5-10H,1-4H3.
What are the key properties of CID 6398141?
CID 6398141 has a molecular weight of 848.79 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6398141 is sourced from PubChem (CID 6398141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).