2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran

C63H48O3 — CID 59412017

IUPAC2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(CCCc3ccc4c(c3)c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc3c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc43)cc12
InChIInChI=1S/C63H48O3/c1-4-19-58-49(16-1)55-37-43(25-31-61(55)64-58)13-7-10-40-22-28-46-52(34-40)47-29-23-41(11-8-14-44-26-32-62-56(38-44)50-17-2-5-20-59(50)65-62)36-54(47)48-30-24-42(35-53(46)48)12-9-15-45-27-33-63-57(39-45)51-18-3-6-21-60(51)66-63/h1-6,16-39H,7-15H2
InChIKeyDLYNXVGRYJBNER-UHFFFAOYSA-N
MW853.07 g/mol
LogP17.37
Rot. Bonds12

About 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran

2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran (PubChem CID 59412017) has the molecular formula C63H48O3 and a molecular weight of 853.07 g/mol. Its IUPAC name is 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
PubChem CID59412017
Molecular FormulaC63H48O3
Molecular Weight853.07 g/mol
Exact Mass852.36
IUPAC Name2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
SMILESc1ccc2c(c1)oc1ccc(CCCc3ccc4c(c3)c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc3c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc43)cc12
InChIInChI=1S/C63H48O3/c1-4-19-58-49(16-1)55-37-43(25-31-61(55)64-58)13-7-10-40-22-28-46-52(34-40)47-29-23-41(11-8-14-44-26-32-62-56(38-44)50-17-2-5-20-59(50)65-62)36-54(47)48-30-24-42(35-53(46)48)12-9-15-45-27-33-63-57(39-45)51-18-3-6-21-60(51)66-63/h1-6,16-39H,7-15H2
InChIKeyDLYNXVGRYJBNER-UHFFFAOYSA-N
XLogP17.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.07
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran with MolForge

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Related Compounds

3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
2-dibenzofuran-2-ylethanol
CID 567048
3,5-bis[3-(3-dibenzofuran-2-ylpropyl)phenyl]pyridine
CID 59411998
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
9-butylbenzo[c]chromen-6-one
CID 102375140
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-(2-methylpropyl)dibenzofuran
CID 59877560
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
ethyl 3-(3-dibenzofuran-2-ylpropyl)-2H-azirine-2-carboxylate
CID 162377128
3-ethyldibenzofuran
CID 58510747
2-dodecylxanthene-9-thione
CID 57217776

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran?
The IUPAC name of 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran (CID 59412017) is 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran.
What is the SMILES notation for 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran?
The canonical SMILES for 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran is c1ccc2c(c1)oc1ccc(CCCc3ccc4c(c3)c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc3c3ccc(CCCc5ccc6oc7ccccc7c6c5)cc43)cc12.
What is the InChIKey of 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran?
The InChIKey is DLYNXVGRYJBNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48O3/c1-4-19-58-49(16-1)55-37-43(25-31-61(55)64-58)13-7-10-40-22-28-46-52(34-40)47-29-23-41(11-8-14-44-26-32-62-56(38-44)50-17-2-5-20-59(50)65-62)36-54(47)48-30-24-42(35-53(46)48)12-9-15-45-27-33-63-57(39-45)51-18-3-6-21-60(51)66-63/h1-6,16-39H,7-15H2.
What are the key properties of 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran?
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran has a molecular weight of 853.07 g/mol, XLogP of 17.37, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran is sourced from PubChem (CID 59412017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).