1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran

C132H122O5 — CID 160962612

IUPAC1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.CC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1.CC(C)(C)c1cccc(-c2ccc3c(c2)oc2ccccc23)c1.CC(C)(C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/5C22H20O.C22H22/c1-22(2,3)17-8-6-7-15(13-17)16-11-12-21-19(14-16)18-9-4-5-10-20(18)23-21;1-22(2,3)17-8-6-7-15(13-17)16-11-12-19-18-9-4-5-10-20(18)23-21(19)14-16;1-22(2,3)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)23-21(17)19;1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21;1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16;1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18/h5*4-14H,1-3H3;4-16H,1-3H3
InChIKeySXEVNMJCJJONHN-UHFFFAOYSA-N
MW1788.42 g/mol
LogP39.07
Rot. Bonds7

About 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran

1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran (PubChem CID 160962612) has the molecular formula C132H122O5 and a molecular weight of 1788.42 g/mol. Its IUPAC name is 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
PubChem CID160962612
Molecular FormulaC132H122O5
Molecular Weight1788.42 g/mol
Exact Mass1786.93
IUPAC Name1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
SMILESCC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.CC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1.CC(C)(C)c1cccc(-c2ccc3c(c2)oc2ccccc23)c1.CC(C)(C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/5C22H20O.C22H22/c1-22(2,3)17-8-6-7-15(13-17)16-11-12-21-19(14-16)18-9-4-5-10-20(18)23-21;1-22(2,3)17-8-6-7-15(13-17)16-11-12-19-18-9-4-5-10-20(18)23-21(19)14-16;1-22(2,3)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)23-21(17)19;1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21;1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16;1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18/h5*4-14H,1-3H3;4-16H,1-3H3
InChIKeySXEVNMJCJJONHN-UHFFFAOYSA-N
XLogP39.07
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001788.42
LogP ≤ 539.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)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
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran;7-phenyl-2-propan-2-yldibenzofuran
CID 164972910
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
CID 165014569
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
CID 159707731
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3-phenylcarbazole;3,6-ditert-butyl-9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole;3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 159376231
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
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran?
The IUPAC name of 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran (CID 160962612) is 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran.
What is the SMILES notation for 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran?
The canonical SMILES for 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran is CC(C)(C)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.CC(C)(C)c1ccc(-c2cccc3c2oc2ccccc23)cc1.CC(C)(C)c1ccc(-c2ccccc2)cc1-c1ccccc1.CC(C)(C)c1cccc(-c2ccc3c(c2)oc2ccccc23)c1.CC(C)(C)c1cccc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran?
The InChIKey is SXEVNMJCJJONHN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H20O.C22H22/c1-22(2,3)17-8-6-7-15(13-17)16-11-12-21-19(14-16)18-9-4-5-10-20(18)23-21;1-22(2,3)17-8-6-7-15(13-17)16-11-12-19-18-9-4-5-10-20(18)23-21(19)14-16;1-22(2,3)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)23-21(17)19;1-22(2,3)17-11-8-15(9-12-17)16-10-13-21-19(14-16)18-6-4-5-7-20(18)23-21;1-22(2,3)17-11-8-15(9-12-17)16-10-13-19-18-6-4-5-7-20(18)23-21(19)14-16;1-22(2,3)21-15-14-19(17-10-6-4-7-11-17)16-20(21)18-12-8-5-9-13-18/h5*4-14H,1-3H3;4-16H,1-3H3.
What are the key properties of 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran?
1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran has a molecular weight of 1788.42 g/mol, XLogP of 39.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran is sourced from PubChem (CID 160962612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).