2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran

C63H50O3 — CID 139504974

About 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran

2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran (PubChem CID 139504974) has the molecular formula C63H50O3 and a molecular weight of 855.09 g/mol. Its IUPAC name is 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran.

Molecular Properties

• Compound Name: 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran
• PubChem CID: 139504974
• Molecular Formula: C63H50O3
• Molecular Weight: 855.09 g/mol
• Exact Mass: 854.38
• IUPAC Name: 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran
• SMILES: CC(C)c1cccc(-c2cccc3c2oc2ccc(CC(C)c4cccc(-c5ccc6oc7cc(CC(C)c8cccc(-c9ccc%10c(c9)oc9ccccc9%10)c8)ccc7c6c5)c4)cc23)c1
• InChI: InChI=1S/C63H50O3/c1-38(2)43-11-7-16-50(33-43)51-18-10-19-55-56-31-41(22-27-60(56)66-63(51)55)29-39(3)44-12-8-14-46(34-44)48-24-28-59-57(36-48)54-25-21-42(32-61(54)65-59)30-40(4)45-13-9-15-47(35-45)49-23-26-53-52-17-5-6-20-58(52)64-62(53)37-49/h5-28,31-40H,29-30H2,1-4H3
• InChIKey: GPHAXSKXCIAEDA-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.09
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran?

The IUPAC name of 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran (CID 139504974) is 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran.

What is the SMILES notation for 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran?

The canonical SMILES for 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran is CC(C)c1cccc(-c2cccc3c2oc2ccc(CC(C)c4cccc(-c5ccc6oc7cc(CC(C)c8cccc(-c9ccc%10c(c9)oc9ccccc9%10)c8)ccc7c6c5)c4)cc23)c1.

What is the InChIKey of 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran?

The InChIKey is GPHAXSKXCIAEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50O3/c1-38(2)43-11-7-16-50(33-43)51-18-10-19-55-56-31-41(22-27-60(56)66-63(51)55)29-39(3)44-12-8-14-46(34-44)48-24-28-59-57(36-48)54-25-21-42(32-61(54)65-59)30-40(4)45-13-9-15-47(35-45)49-23-26-53-52-17-5-6-20-58(52)64-62(53)37-49/h5-28,31-40H,29-30H2,1-4H3.

What are the key properties of 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran?

2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran has a molecular weight of 855.09 g/mol, XLogP of 18.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran is sourced from PubChem (CID 139504974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).