2-(3-methylpentan-3-yl)triphenylene

C24H24 — CID 143326893

IUPAC2-(3-methylpentan-3-yl)triphenylene
SMILESCCC(C)(CC)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C24H24/c1-4-24(3,5-2)17-14-15-22-20-12-7-6-10-18(20)19-11-8-9-13-21(19)23(22)16-17/h6-16H,4-5H2,1-3H3
InChIKeyCZGZWVORHAFEHD-UHFFFAOYSA-N
MW312.46 g/mol
LogP7.22
Rot. Bonds3

About 2-(3-methylpentan-3-yl)triphenylene

2-(3-methylpentan-3-yl)triphenylene (PubChem CID 143326893) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)triphenylene.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)triphenylene
PubChem CID143326893
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name2-(3-methylpentan-3-yl)triphenylene
SMILESCCC(C)(CC)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C24H24/c1-4-24(3,5-2)17-14-15-22-20-12-7-6-10-18(20)19-11-8-9-13-21(19)23(22)16-17/h6-16H,4-5H2,1-3H3
InChIKeyCZGZWVORHAFEHD-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)triphenylene?
The IUPAC name of 2-(3-methylpentan-3-yl)triphenylene (CID 143326893) is 2-(3-methylpentan-3-yl)triphenylene.
What is the SMILES notation for 2-(3-methylpentan-3-yl)triphenylene?
The canonical SMILES for 2-(3-methylpentan-3-yl)triphenylene is CCC(C)(CC)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-(3-methylpentan-3-yl)triphenylene?
The InChIKey is CZGZWVORHAFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-4-24(3,5-2)17-14-15-22-20-12-7-6-10-18(20)19-11-8-9-13-21(19)23(22)16-17/h6-16H,4-5H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)triphenylene?
2-(3-methylpentan-3-yl)triphenylene has a molecular weight of 312.46 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)triphenylene is sourced from PubChem (CID 143326893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).