CID 146875620

C21H10Al4 — CID 146875620

IUPAC—
SMILES[Al]c1c2ccccc2c([Al])c2cc3c(cc12)-c1ccccc1C3([Al])[Al]
InChIInChI=1S/C21H10.4Al/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21;;;;/h1-8,12-13H;;;;
InChIKeyURVIGWQZSAWDAM-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.10
Rot. Bonds

About CID 146875620

CID 146875620 (PubChem CID 146875620) has the molecular formula C21H10Al4 and a molecular weight of 370.24 g/mol.

Molecular Properties

Compound NameCID 146875620
PubChem CID146875620
Molecular FormulaC21H10Al4
Molecular Weight370.24 g/mol
Exact Mass370.00
IUPAC Name—
SMILES[Al]c1c2ccccc2c([Al])c2cc3c(cc12)-c1ccccc1C3([Al])[Al]
InChIInChI=1S/C21H10.4Al/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21;;;;/h1-8,12-13H;;;;
InChIKeyURVIGWQZSAWDAM-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 146875620?
The IUPAC name of CID 146875620 (CID 146875620) is not available.
What is the SMILES notation for CID 146875620?
The canonical SMILES for CID 146875620 is [Al]c1c2ccccc2c([Al])c2cc3c(cc12)-c1ccccc1C3([Al])[Al].
What is the InChIKey of CID 146875620?
The InChIKey is URVIGWQZSAWDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10.4Al/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21;;;;/h1-8,12-13H;;;;.
What are the key properties of CID 146875620?
CID 146875620 has a molecular weight of 370.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146875620 is sourced from PubChem (CID 146875620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).