CID 23585944

C12H8Al2 — CID 23585944

IUPAC—
SMILES[Al]c1ccc(-c2ccc([Al])cc2)cc1
InChIInChI=1S/C12H8.2Al/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h3-10H;;
InChIKeyHYCKFXJAYFAMMR-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.94
Rot. Bonds1

About CID 23585944

CID 23585944 (PubChem CID 23585944) has the molecular formula C12H8Al2 and a molecular weight of 206.16 g/mol.

Molecular Properties

Compound NameCID 23585944
PubChem CID23585944
Molecular FormulaC12H8Al2
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name—
SMILES[Al]c1ccc(-c2ccc([Al])cc2)cc1
InChIInChI=1S/C12H8.2Al/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h3-10H;;
InChIKeyHYCKFXJAYFAMMR-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
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Frequently Asked Questions

What is the IUPAC name of CID 23585944?
The IUPAC name of CID 23585944 (CID 23585944) is not available.
What is the SMILES notation for CID 23585944?
The canonical SMILES for CID 23585944 is [Al]c1ccc(-c2ccc([Al])cc2)cc1.
What is the InChIKey of CID 23585944?
The InChIKey is HYCKFXJAYFAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.2Al/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h3-10H;;.
What are the key properties of CID 23585944?
CID 23585944 has a molecular weight of 206.16 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23585944 is sourced from PubChem (CID 23585944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).