CID 159108391

C33H23AlN — CID 159108391

IUPAC—
SMILES[Al].c1ccc(-c2nc3cccc(-c4ccccc4)c3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C33H23N.Al/c1-5-14-24(15-6-1)28-22-13-23-29-32(28)30(25-16-7-2-8-17-25)31(26-18-9-3-10-19-26)33(34-29)27-20-11-4-12-21-27;/h1-23H;
InChIKeyKEEGAKAIJJNGEE-UHFFFAOYSA-N
MW460.54 g/mol
LogP8.52
Rot. Bonds4

About CID 159108391

CID 159108391 (PubChem CID 159108391) has the molecular formula C33H23AlN and a molecular weight of 460.54 g/mol.

Molecular Properties

Compound NameCID 159108391
PubChem CID159108391
Molecular FormulaC33H23AlN
Molecular Weight460.54 g/mol
Exact Mass460.16
IUPAC Name—
SMILES[Al].c1ccc(-c2nc3cccc(-c4ccccc4)c3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C33H23N.Al/c1-5-14-24(15-6-1)28-22-13-23-29-32(28)30(25-16-7-2-8-17-25)31(26-18-9-3-10-19-26)33(34-29)27-20-11-4-12-21-27;/h1-23H;
InChIKeyKEEGAKAIJJNGEE-UHFFFAOYSA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
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Frequently Asked Questions

What is the IUPAC name of CID 159108391?
The IUPAC name of CID 159108391 (CID 159108391) is not available.
What is the SMILES notation for CID 159108391?
The canonical SMILES for CID 159108391 is [Al].c1ccc(-c2nc3cccc(-c4ccccc4)c3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of CID 159108391?
The InChIKey is KEEGAKAIJJNGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N.Al/c1-5-14-24(15-6-1)28-22-13-23-29-32(28)30(25-16-7-2-8-17-25)31(26-18-9-3-10-19-26)33(34-29)27-20-11-4-12-21-27;/h1-23H;.
What are the key properties of CID 159108391?
CID 159108391 has a molecular weight of 460.54 g/mol, XLogP of 8.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159108391 is sourced from PubChem (CID 159108391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).