2-triphenylen-2-yloxytriphenylene

C36H22O — CID 142787718

IUPAC2-triphenylen-2-yloxytriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H
InChIKeyVGOBWVDVIUKJIH-UHFFFAOYSA-N
MW470.57 g/mol
LogP10.40
Rot. Bonds2

About 2-triphenylen-2-yloxytriphenylene

2-triphenylen-2-yloxytriphenylene (PubChem CID 142787718) has the molecular formula C36H22O and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-triphenylen-2-yloxytriphenylene.

Molecular Properties

Compound Name2-triphenylen-2-yloxytriphenylene
PubChem CID142787718
Molecular FormulaC36H22O
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name2-triphenylen-2-yloxytriphenylene
SMILESc1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21
InChIInChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H
InChIKeyVGOBWVDVIUKJIH-UHFFFAOYSA-N
XLogP10.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-triphenylen-2-yloxytriphenylene?
The IUPAC name of 2-triphenylen-2-yloxytriphenylene (CID 142787718) is 2-triphenylen-2-yloxytriphenylene.
What is the SMILES notation for 2-triphenylen-2-yloxytriphenylene?
The canonical SMILES for 2-triphenylen-2-yloxytriphenylene is c1ccc2c(c1)c1ccccc1c1cc(Oc3ccc4c5ccccc5c5ccccc5c4c3)ccc21.
What is the InChIKey of 2-triphenylen-2-yloxytriphenylene?
The InChIKey is VGOBWVDVIUKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O/c1-3-13-29-25(9-1)27-11-5-7-15-31(27)35-21-23(17-19-33(29)35)37-24-18-20-34-30-14-4-2-10-26(30)28-12-6-8-16-32(28)36(34)22-24/h1-22H.
What are the key properties of 2-triphenylen-2-yloxytriphenylene?
2-triphenylen-2-yloxytriphenylene has a molecular weight of 470.57 g/mol, XLogP of 10.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triphenylen-2-yloxytriphenylene is sourced from PubChem (CID 142787718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).