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)

C296H252O12 — CID 160941710

IUPAC1-(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)
SMILESCC(C)(C)c1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2cccc3oc4ccccc4c23)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H]
InChIInChI=1S/2C34H26O2.4C29H26O.4C28H24O/c1-34(2,3)33-23(21-13-9-19-29-31(21)25-11-4-6-17-27(25)35-29)15-8-16-24(33)22-14-10-20-30-32(22)26-12-5-7-18-28(26)36-30;1-34(2,3)31-23(27-17-9-15-25-21-11-4-6-19-29(21)35-32(25)27)13-8-14-24(31)28-18-10-16-26-22-12-5-7-20-30(22)36-33(26)28;2*1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;2*1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;2*1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;2*1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h2*4-20H,1-3H3;4*5-18H,1-4H3;4*4-18H,1-3H3/i;;4*7D,10D,11D,18D;;;;
InChIKeySUPBOBSRHOILRM-RAQMDJGUSA-N
MW4017.36 g/mol
LogP87.21
Rot. Bonds20

About 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)

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) (PubChem CID 160941710) has the molecular formula C296H252O12 and a molecular weight of 4017.36 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-(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)
PubChem CID160941710
Molecular FormulaC296H252O12
Molecular Weight4017.36 g/mol
Exact Mass4014.01
IUPAC Name1-(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)
SMILESCC(C)(C)c1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2cccc3oc4ccccc4c23)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H]
InChIInChI=1S/2C34H26O2.4C29H26O.4C28H24O/c1-34(2,3)33-23(21-13-9-19-29-31(21)25-11-4-6-17-27(25)35-29)15-8-16-24(33)22-14-10-20-30-32(22)26-12-5-7-18-28(26)36-30;1-34(2,3)31-23(27-17-9-15-25-21-11-4-6-19-29(21)35-32(25)27)13-8-14-24(31)28-18-10-16-26-22-12-5-7-20-30(22)36-33(26)28;2*1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;2*1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;2*1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;2*1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h2*4-20H,1-3H3;4*5-18H,1-4H3;4*4-18H,1-3H3/i;;4*7D,10D,11D,18D;;;;
InChIKeySUPBOBSRHOILRM-RAQMDJGUSA-N
XLogP87.21
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004017.36
LogP ≤ 587.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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) with MolForge

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Related Compounds

1-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzofuran;4-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]dibenzofuran
CID 158026718
1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;1-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene;4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene
CID 165089400
4-(2-tert-butyl-3-dibenzofuran-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran
CID 161275768
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-tert-butyl-9-(3,5-ditert-butylphenyl)-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran
CID 159069559
1-phenyl-6-[2,3,4,6-tetradeuterio-5-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]phenyl]dibenzofuran
CID 167419066
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
4-dibenzofuran-1-yl-6-methyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)pyrimidine
CID 159098046
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 168770032
1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 167406576
1-[2,3,4,6-tetradeuterio-5-[[1,2,3,4,5,6,7,8-octadeuterio-10-[(2,3,4,5,6-pentadeuteriophenyl)methyl]anthracen-9-yl]methyl]phenyl]dibenzofuran
CID 167419322
1-[10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662723

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(C)c1c(-c2cccc3c2oc2ccccc23)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2cccc3oc4ccccc4c23)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)cccc1-c1cccc2oc3ccccc3c12.[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4c3oc3ccccc34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H].[2H]c1c([2H])c(C)c([2H])c(-c2cccc(-c3cccc4oc5ccccc5c34)c2C(C)(C)C)c1[2H].
What is the InChIKey of 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)?
The InChIKey is SUPBOBSRHOILRM-RAQMDJGUSA-N. The full InChI is InChI=1S/2C34H26O2.4C29H26O.4C28H24O/c1-34(2,3)33-23(21-13-9-19-29-31(21)25-11-4-6-17-27(25)35-29)15-8-16-24(33)22-14-10-20-30-32(22)26-12-5-7-18-28(26)36-30;1-34(2,3)31-23(27-17-9-15-25-21-11-4-6-19-29(21)35-32(25)27)13-8-14-24(31)28-18-10-16-26-22-12-5-7-20-30(22)36-33(26)28;2*1-19-10-7-11-20(18-19)21-13-8-15-23(28(21)29(2,3)4)22-14-9-17-26-27(22)24-12-5-6-16-25(24)30-26;2*1-19-10-7-11-20(18-19)21-13-8-14-23(27(21)29(2,3)4)25-16-9-15-24-22-12-5-6-17-26(22)30-28(24)25;2*1-28(2,3)27-20(19-11-5-4-6-12-19)14-9-16-22(27)21-15-10-18-25-26(21)23-13-7-8-17-24(23)29-25;2*1-28(2,3)26-20(19-11-5-4-6-12-19)14-9-15-22(26)24-17-10-16-23-21-13-7-8-18-25(21)29-27(23)24/h2*4-20H,1-3H3;4*5-18H,1-4H3;4*4-18H,1-3H3/i;;4*7D,10D,11D,18D;;;;.
What are the key properties of 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)?
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) has a molecular weight of 4017.36 g/mol, XLogP of 87.21, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160941710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).