2,5-ditritylfuran

C42H32O — CID 135022622

IUPAC2,5-ditritylfuran
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C42H32O/c1-7-19-33(20-8-1)41(34-21-9-2-10-22-34,35-23-11-3-12-24-35)39-31-32-40(43-39)42(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H
InChIKeyMEQHGHDZHFCXSY-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.05
Rot. Bonds8

About 2,5-ditritylfuran

2,5-ditritylfuran (PubChem CID 135022622) has the molecular formula C42H32O and a molecular weight of 552.72 g/mol. Its IUPAC name is 2,5-ditritylfuran.

Molecular Properties

Compound Name2,5-ditritylfuran
PubChem CID135022622
Molecular FormulaC42H32O
Molecular Weight552.72 g/mol
Exact Mass552.25
IUPAC Name2,5-ditritylfuran
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C42H32O/c1-7-19-33(20-8-1)41(34-21-9-2-10-22-34,35-23-11-3-12-24-35)39-31-32-40(43-39)42(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H
InChIKeyMEQHGHDZHFCXSY-UHFFFAOYSA-N
XLogP10.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.05
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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Related Compounds

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sulfuryl dichloride;tritylbenzene
CID 174476389
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
2-(2-cyclohepta-1,3,5-trien-1-ylthiophen-3-yl)-5-tritylfuran
CID 101125562
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206
4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
CID 134267119
CID 177002326
CID 177002326
CID 175980360
CID 175980360
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
CID 139721839
trityl hypobromite
CID 21394946

Frequently Asked Questions

What is the IUPAC name of 2,5-ditritylfuran?
The IUPAC name of 2,5-ditritylfuran (CID 135022622) is 2,5-ditritylfuran.
What is the SMILES notation for 2,5-ditritylfuran?
The canonical SMILES for 2,5-ditritylfuran is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of 2,5-ditritylfuran?
The InChIKey is MEQHGHDZHFCXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32O/c1-7-19-33(20-8-1)41(34-21-9-2-10-22-34,35-23-11-3-12-24-35)39-31-32-40(43-39)42(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H.
What are the key properties of 2,5-ditritylfuran?
2,5-ditritylfuran has a molecular weight of 552.72 g/mol, XLogP of 10.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditritylfuran is sourced from PubChem (CID 135022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).