2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran

C42H48O2 — CID 58461816

IUPAC2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran
SMILESCC(C)(C)c1ccc2oc3c(/C=C/c4cc(C(C)(C)C)cc5c4oc4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C42H48O2/c1-39(2,3)27-15-17-35-31(21-27)33-23-29(41(7,8)9)19-25(37(33)43-35)13-14-26-20-30(42(10,11)12)24-34-32-22-28(40(4,5)6)16-18-36(32)44-38(26)34/h13-24H,1-12H3/b14-13+
InChIKeyOQIUFNKRBURNKJ-BUHFOSPRSA-N
MW584.84 g/mol
LogP12.85
Rot. Bonds2

About 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran

2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran (PubChem CID 58461816) has the molecular formula C42H48O2 and a molecular weight of 584.84 g/mol. Its IUPAC name is 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran.

Molecular Properties

Compound Name2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran
PubChem CID58461816
Molecular FormulaC42H48O2
Molecular Weight584.84 g/mol
Exact Mass584.37
IUPAC Name2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran
SMILESCC(C)(C)c1ccc2oc3c(/C=C/c4cc(C(C)(C)C)cc5c4oc4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C42H48O2/c1-39(2,3)27-15-17-35-31(21-27)33-23-29(41(7,8)9)19-25(37(33)43-35)13-14-26-20-30(42(10,11)12)24-34-32-22-28(40(4,5)6)16-18-36(32)44-38(26)34/h13-24H,1-12H3/b14-13+
InChIKeyOQIUFNKRBURNKJ-BUHFOSPRSA-N
XLogP12.85
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.84
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran with MolForge

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Related Compounds

2,8-ditert-butyldibenzofuran
CID 14914466
2,7-ditert-butylxanthen-9-one
CID 10859809
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910
6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 163848105
2-tert-butyl-5-methoxyxanthen-9-one
CID 164685848
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
6-tert-butyl-1,3-benzoxazine-2,4-dione
CID 59410453
6-tert-butyl-4-hydroxychromen-2-one
CID 54694576
6,17-ditert-butyl-11,22-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15(20),16,18-nonaene-10,21-dione
CID 122227213
6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
CID 130421155
2-(4,8-ditert-butyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 177242649

Frequently Asked Questions

What is the IUPAC name of 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran?
The IUPAC name of 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran (CID 58461816) is 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran.
What is the SMILES notation for 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran?
The canonical SMILES for 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran is CC(C)(C)c1ccc2oc3c(/C=C/c4cc(C(C)(C)C)cc5c4oc4ccc(C(C)(C)C)cc45)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran?
The InChIKey is OQIUFNKRBURNKJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C42H48O2/c1-39(2,3)27-15-17-35-31(21-27)33-23-29(41(7,8)9)19-25(37(33)43-35)13-14-26-20-30(42(10,11)12)24-34-32-22-28(40(4,5)6)16-18-36(32)44-38(26)34/h13-24H,1-12H3/b14-13+.
What are the key properties of 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran?
2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran has a molecular weight of 584.84 g/mol, XLogP of 12.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-ditert-butyl-4-[(E)-2-(2,8-ditert-butyldibenzofuran-4-yl)ethenyl]dibenzofuran is sourced from PubChem (CID 58461816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).