1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran

C78H64O3 — CID 167289333

IUPAC1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran
SMILESCC(C)(C)c1ccccc1-c1cccc2oc3cc(CC(C)(C)c4c(-c5ccccc5)cc(CC(C)(C)c5c(-c6ccccc6)cccc5-c5cccc6oc7ccccc7c56)cc4-c4cccc5c4oc4ccccc45)ccc3c12
InChIInChI=1S/C78H64O3/c1-76(2,3)65-37-17-14-28-54(65)56-32-22-41-69-71(56)62-43-42-49(46-70(62)80-69)47-77(4,5)74-63(52-26-12-9-13-27-52)44-50(45-64(74)60-36-21-35-59-55-29-15-18-38-66(55)81-75(59)60)48-78(6,7)73-53(51-24-10-8-11-25-51)31-20-34-58(73)57-33-23-40-68-72(57)61-30-16-19-39-67(61)79-68/h8-46H,47-48H2,1-7H3
InChIKeyZDVIMTOMFXBHIX-UHFFFAOYSA-N
MW1049.37 g/mol
LogP22.06
Rot. Bonds11

About 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran

1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran (PubChem CID 167289333) has the molecular formula C78H64O3 and a molecular weight of 1049.37 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran
PubChem CID167289333
Molecular FormulaC78H64O3
Molecular Weight1049.37 g/mol
Exact Mass1048.49
IUPAC Name1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran
SMILESCC(C)(C)c1ccccc1-c1cccc2oc3cc(CC(C)(C)c4c(-c5ccccc5)cc(CC(C)(C)c5c(-c6ccccc6)cccc5-c5cccc6oc7ccccc7c56)cc4-c4cccc5c4oc4ccccc45)ccc3c12
InChIInChI=1S/C78H64O3/c1-76(2,3)65-37-17-14-28-54(65)56-32-22-41-69-71(56)62-43-42-49(46-70(62)80-69)47-77(4,5)74-63(52-26-12-9-13-27-52)44-50(45-64(74)60-36-21-35-59-55-29-15-18-38-66(55)81-75(59)60)48-78(6,7)73-53(51-24-10-8-11-25-51)31-20-34-58(73)57-33-23-40-68-72(57)61-30-16-19-39-67(61)79-68/h8-46H,47-48H2,1-7H3
InChIKeyZDVIMTOMFXBHIX-UHFFFAOYSA-N
XLogP22.06
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 522.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran with MolForge

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Related Compounds

1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
CID 165087419
1-(2-tert-butyl-3-dibenzofuran-1-ylphenyl)dibenzofuran;4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;bis(1-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(4-(2-tert-butyl-3-phenylphenyl)dibenzofuran);bis(1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran);bis(4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran)
CID 160941710
1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
CID 138707220
1-tert-butyl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole;1-(2-tert-butylphenyl)-3,5-diphenylbenzene;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1,3-ditert-butyl-5-[3-(2-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]benzene
CID 158843150
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
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
4-(2-tert-butyl-3-dibenzothiophen-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzothiophene;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-(2,3-ditert-butylphenyl)dibenzothiophene;4-(2,3-ditert-butylphenyl)dibenzothiophene
CID 162086898
2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 170300169
4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
CID 161275768
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran?
The IUPAC name of 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran (CID 167289333) is 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran.
What is the SMILES notation for 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran?
The canonical SMILES for 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran is CC(C)(C)c1ccccc1-c1cccc2oc3cc(CC(C)(C)c4c(-c5ccccc5)cc(CC(C)(C)c5c(-c6ccccc6)cccc5-c5cccc6oc7ccccc7c56)cc4-c4cccc5c4oc4ccccc45)ccc3c12.
What is the InChIKey of 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran?
The InChIKey is ZDVIMTOMFXBHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64O3/c1-76(2,3)65-37-17-14-28-54(65)56-32-22-41-69-71(56)62-43-42-49(46-70(62)80-69)47-77(4,5)74-63(52-26-12-9-13-27-52)44-50(45-64(74)60-36-21-35-59-55-29-15-18-38-66(55)81-75(59)60)48-78(6,7)73-53(51-24-10-8-11-25-51)31-20-34-58(73)57-33-23-40-68-72(57)61-30-16-19-39-67(61)79-68/h8-46H,47-48H2,1-7H3.
What are the key properties of 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran?
1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran has a molecular weight of 1049.37 g/mol, XLogP of 22.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-7-[2-[2-dibenzofuran-4-yl-4-[2-(2-dibenzofuran-1-yl-6-phenylphenyl)-2-methylpropyl]-6-phenylphenyl]-2-methylpropyl]dibenzofuran is sourced from PubChem (CID 167289333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).