CID 134905872

C24H25Ga- — CID 134905872

IUPAC—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ga-])c(C)c1
InChIInChI=1S/C24H25.Ga/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;/h7-13H,1-6H3;/q;-1
InChIKeyXSOHENNKFBAMMS-UHFFFAOYSA-N
MW383.19 g/mol
LogP5.66
Rot. Bonds2

About CID 134905872

CID 134905872 (PubChem CID 134905872) has the molecular formula C24H25Ga- and a molecular weight of 383.19 g/mol.

Molecular Properties

Compound NameCID 134905872
PubChem CID134905872
Molecular FormulaC24H25Ga-
Molecular Weight383.19 g/mol
Exact Mass382.12
IUPAC Name—
SMILESCc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ga-])c(C)c1
InChIInChI=1S/C24H25.Ga/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;/h7-13H,1-6H3;/q;-1
InChIKeyXSOHENNKFBAMMS-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.19
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134905872?
The IUPAC name of CID 134905872 (CID 134905872) is not available.
What is the SMILES notation for CID 134905872?
The canonical SMILES for CID 134905872 is Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Ga-])c(C)c1.
What is the InChIKey of CID 134905872?
The InChIKey is XSOHENNKFBAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25.Ga/c1-15-10-17(3)23(18(4)11-15)21-8-7-9-22(14-21)24-19(5)12-16(2)13-20(24)6;/h7-13H,1-6H3;/q;-1.
What are the key properties of CID 134905872?
CID 134905872 has a molecular weight of 383.19 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134905872 is sourced from PubChem (CID 134905872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).