CID 171375446

C27H36Ga — CID 171375446

IUPAC—
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ga]
InChIInChI=1S/3C9H12.Ga/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-6H,1-3H3;
InChIKeyXDZOXYZOXIHIFJ-UHFFFAOYSA-N
MW430.31 g/mol
LogP7.45
Rot. Bonds

About CID 171375446

CID 171375446 (PubChem CID 171375446) has the molecular formula C27H36Ga and a molecular weight of 430.31 g/mol.

Molecular Properties

Compound NameCID 171375446
PubChem CID171375446
Molecular FormulaC27H36Ga
Molecular Weight430.31 g/mol
Exact Mass429.21
IUPAC Name—
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ga]
InChIInChI=1S/3C9H12.Ga/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-6H,1-3H3;
InChIKeyXDZOXYZOXIHIFJ-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 171375446?
The IUPAC name of CID 171375446 (CID 171375446) is not available.
What is the SMILES notation for CID 171375446?
The canonical SMILES for CID 171375446 is Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.[Ga].
What is the InChIKey of CID 171375446?
The InChIKey is XDZOXYZOXIHIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12.Ga/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-6H,1-3H3;.
What are the key properties of CID 171375446?
CID 171375446 has a molecular weight of 430.31 g/mol, XLogP of 7.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375446 is sourced from PubChem (CID 171375446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).