4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran

C34H26O2 — CID 170133663

IUPAC4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C34H26O2/c1-34(2,3)23-19-21(24-12-8-14-28-26-10-4-6-16-30(26)35-32(24)28)18-22(20-23)25-13-9-15-29-27-11-5-7-17-31(27)36-33(25)29/h4-20H,1-3H3
InChIKeyAZVJKLHQJLZDPS-UHFFFAOYSA-N
MW466.58 g/mol
LogP10.12
Rot. Bonds2

About 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran

4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran (PubChem CID 170133663) has the molecular formula C34H26O2 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
PubChem CID170133663
Molecular FormulaC34H26O2
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C34H26O2/c1-34(2,3)23-19-21(24-12-8-14-28-26-10-4-6-16-30(26)35-32(24)28)18-22(20-23)25-13-9-15-29-27-11-5-7-17-31(27)36-33(25)29/h4-20H,1-3H3
InChIKeyAZVJKLHQJLZDPS-UHFFFAOYSA-N
XLogP10.12
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
4-[3-[4-(1-adamantyl)phenyl]-5-tert-butylphenyl]dibenzofuran
CID 170924880
3-(3,5-ditert-butylphenyl)-4-methyldibenzofuran
CID 164845409
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
18-(3,5-ditert-butylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348364
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran?
The IUPAC name of 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran (CID 170133663) is 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran.
What is the SMILES notation for 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran?
The canonical SMILES for 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran is CC(C)(C)c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran?
The InChIKey is AZVJKLHQJLZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O2/c1-34(2,3)23-19-21(24-12-8-14-28-26-10-4-6-16-30(26)35-32(24)28)18-22(20-23)25-13-9-15-29-27-11-5-7-17-31(27)36-33(25)29/h4-20H,1-3H3.
What are the key properties of 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran?
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran has a molecular weight of 466.58 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran is sourced from PubChem (CID 170133663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).