2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran

C93H72O3 — CID 158759484

IUPAC2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
SMILESCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/3C31H24O/c1-20(2)23-18-19-24(27-9-4-3-8-26(23)27)21-14-16-22(17-15-21)25-11-7-12-29-28-10-5-6-13-30(28)32-31(25)29;1-20(2)24-16-17-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-18-31-29(19-23)28-9-5-6-10-30(28)32-31;1-20(2)24-17-18-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-16-29-28-9-5-6-10-30(28)32-31(29)19-23/h3*3-20H,1-2H3
InChIKeyIOMCVJYYPZQJLS-UHFFFAOYSA-N
MW1237.60 g/mol
LogP27.59
Rot. Bonds9

About 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran

2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran (PubChem CID 158759484) has the molecular formula C93H72O3 and a molecular weight of 1237.60 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
PubChem CID158759484
Molecular FormulaC93H72O3
Molecular Weight1237.60 g/mol
Exact Mass1236.55
IUPAC Name2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
SMILESCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12
InChIInChI=1S/3C31H24O/c1-20(2)23-18-19-24(27-9-4-3-8-26(23)27)21-14-16-22(17-15-21)25-11-7-12-29-28-10-5-6-13-30(28)32-31(25)29;1-20(2)24-16-17-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-18-31-29(19-23)28-9-5-6-10-30(28)32-31;1-20(2)24-17-18-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-16-29-28-9-5-6-10-30(28)32-31(29)19-23/h3*3-20H,1-2H3
InChIKeyIOMCVJYYPZQJLS-UHFFFAOYSA-N
XLogP27.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.60
LogP ≤ 527.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran with MolForge

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Related Compounds

2-naphthalen-1-yl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-naphthalen-1-yl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-phenyl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;3-phenyl-7-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran
CID 159241387
2-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 157495963
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
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
7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran
CID 139505201
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
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
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
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
2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran
CID 139504974
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran?
The IUPAC name of 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran (CID 158759484) is 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran is CC(C)c1ccc(-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2ccccc12.CC(C)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran?
The InChIKey is IOMCVJYYPZQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H24O/c1-20(2)23-18-19-24(27-9-4-3-8-26(23)27)21-14-16-22(17-15-21)25-11-7-12-29-28-10-5-6-13-30(28)32-31(25)29;1-20(2)24-16-17-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-18-31-29(19-23)28-9-5-6-10-30(28)32-31;1-20(2)24-17-18-25(27-8-4-3-7-26(24)27)22-13-11-21(12-14-22)23-15-16-29-28-9-5-6-10-30(28)32-31(29)19-23/h3*3-20H,1-2H3.
What are the key properties of 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran?
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran has a molecular weight of 1237.60 g/mol, XLogP of 27.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran is sourced from PubChem (CID 158759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).