9-trityl-9H-xanthene

C32H24O — CID 57065110

IUPAC9-trityl-9H-xanthene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C32H24O/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-27-20-10-12-22-29(27)33-30-23-13-11-21-28(30)31/h1-23,31H
InChIKeyOYGAAYTTWBZIBA-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.96
Rot. Bonds4

About 9-trityl-9H-xanthene

9-trityl-9H-xanthene (PubChem CID 57065110) has the molecular formula C32H24O and a molecular weight of 424.54 g/mol. Its IUPAC name is 9-trityl-9H-xanthene.

Molecular Properties

Compound Name9-trityl-9H-xanthene
PubChem CID57065110
Molecular FormulaC32H24O
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC Name9-trityl-9H-xanthene
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)C2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C32H24O/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-27-20-10-12-22-29(27)33-30-23-13-11-21-28(30)31/h1-23,31H
InChIKeyOYGAAYTTWBZIBA-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-trityl-9H-xanthene?
The IUPAC name of 9-trityl-9H-xanthene (CID 57065110) is 9-trityl-9H-xanthene.
What is the SMILES notation for 9-trityl-9H-xanthene?
The canonical SMILES for 9-trityl-9H-xanthene is c1ccc(C(c2ccccc2)(c2ccccc2)C2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 9-trityl-9H-xanthene?
The InChIKey is OYGAAYTTWBZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-27-20-10-12-22-29(27)33-30-23-13-11-21-28(30)31/h1-23,31H.
What are the key properties of 9-trityl-9H-xanthene?
9-trityl-9H-xanthene has a molecular weight of 424.54 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trityl-9H-xanthene is sourced from PubChem (CID 57065110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).