2-prop-1-en-2-yltriphenylene

C21H16 — CID 142551751

IUPAC2-prop-1-en-2-yltriphenylene
SMILESC=C(C)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C21H16/c1-14(2)15-11-12-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)21(20)13-15/h3-13H,1H2,2H3
InChIKeyROYPGKDUIUEOIN-UHFFFAOYSA-N
MW268.36 g/mol
LogP6.18
Rot. Bonds1

About 2-prop-1-en-2-yltriphenylene

2-prop-1-en-2-yltriphenylene (PubChem CID 142551751) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-prop-1-en-2-yltriphenylene.

Molecular Properties

Compound Name2-prop-1-en-2-yltriphenylene
PubChem CID142551751
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name2-prop-1-en-2-yltriphenylene
SMILESC=C(C)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C21H16/c1-14(2)15-11-12-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)21(20)13-15/h3-13H,1H2,2H3
InChIKeyROYPGKDUIUEOIN-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 56.18
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-prop-1-en-2-yltriphenylene?
The IUPAC name of 2-prop-1-en-2-yltriphenylene (CID 142551751) is 2-prop-1-en-2-yltriphenylene.
What is the SMILES notation for 2-prop-1-en-2-yltriphenylene?
The canonical SMILES for 2-prop-1-en-2-yltriphenylene is C=C(C)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-prop-1-en-2-yltriphenylene?
The InChIKey is ROYPGKDUIUEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-14(2)15-11-12-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)21(20)13-15/h3-13H,1H2,2H3.
What are the key properties of 2-prop-1-en-2-yltriphenylene?
2-prop-1-en-2-yltriphenylene has a molecular weight of 268.36 g/mol, XLogP of 6.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yltriphenylene is sourced from PubChem (CID 142551751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).