1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran

C32H30O2 — CID 138707220

IUPAC1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
SMILESCC(C)(C)c1cccc2c1oc1cc(-c3ccc4oc5ccccc5c4c3C(C)(C)C)ccc12
InChIInChI=1S/C32H30O2/c1-31(2,3)24-12-9-11-22-21-15-14-19(18-27(21)34-30(22)24)20-16-17-26-28(29(20)32(4,5)6)23-10-7-8-13-25(23)33-26/h7-18H,1-6H3
InChIKeyGVVCOPAWSBKMEZ-UHFFFAOYSA-N
MW446.59 g/mol
LogP9.75
Rot. Bonds1

About 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran

1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran (PubChem CID 138707220) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
PubChem CID138707220
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
SMILESCC(C)(C)c1cccc2c1oc1cc(-c3ccc4oc5ccccc5c4c3C(C)(C)C)ccc12
InChIInChI=1S/C32H30O2/c1-31(2,3)24-12-9-11-22-21-15-14-19(18-27(21)34-30(22)24)20-16-17-26-28(29(20)32(4,5)6)23-10-7-8-13-25(23)33-26/h7-18H,1-6H3
InChIKeyGVVCOPAWSBKMEZ-UHFFFAOYSA-N
XLogP9.75
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran with MolForge

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Related Compounds

1-tert-butyl-6-phenyldibenzofuran;1-tert-butyl-7-phenyldibenzofuran;2-tert-butyl-6-phenyldibenzofuran;2-tert-butyl-7-phenyldibenzofuran;3-tert-butyl-7-phenyldibenzofuran;6-tert-butyl-2-phenyldibenzofuran;6-tert-butyl-3-phenyldibenzofuran
CID 165019061
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
1-tert-butyldibenzofuran
CID 59078665
2-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]-6-[6-[4-(7-tert-butyl-3-dibenzofuran-3-ylpyren-1-yl)phenyl]dibenzofuran-3-yl]dibenzofuran
CID 163701429
2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 176647215
3-methyl-7-(4-methyldibenzofuran-3-yl)dibenzofuran
CID 166921667
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
2-[7-tert-butyl-3-(4-dibenzofuran-3-ylphenyl)pyren-1-yl]dibenzofuran;3-[7-tert-butyl-3-(4-dibenzofuran-3-ylphenyl)pyren-1-yl]dibenzofuran;3-[4-(7-tert-butyl-3-dibenzofuran-4-ylpyren-1-yl)phenyl]dibenzofuran
CID 159336020

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran (CID 138707220) is 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran is CC(C)(C)c1cccc2c1oc1cc(-c3ccc4oc5ccccc5c4c3C(C)(C)C)ccc12.
What is the InChIKey of 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran?
The InChIKey is GVVCOPAWSBKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O2/c1-31(2,3)24-12-9-11-22-21-15-14-19(18-27(21)34-30(22)24)20-16-17-26-28(29(20)32(4,5)6)23-10-7-8-13-25(23)33-26/h7-18H,1-6H3.
What are the key properties of 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran?
1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran has a molecular weight of 446.59 g/mol, XLogP of 9.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 138707220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).