2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran

C60H34O2 — CID 134428938

IUPAC2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
SMILESc1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1-2
InChIInChI=1S/C60H34O2/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h1-34H/b49-43-,50-44-,53-45-,54-46-
InChIKeyQBOWUNFDCFDPRG-NIFFRPJZSA-N
MW786.93 g/mol
LogP17.26
Rot. Bonds2

About 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran

2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran (PubChem CID 134428938) has the molecular formula C60H34O2 and a molecular weight of 786.93 g/mol. Its IUPAC name is 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran.

Molecular Properties

Compound Name2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
PubChem CID134428938
Molecular FormulaC60H34O2
Molecular Weight786.93 g/mol
Exact Mass786.26
IUPAC Name2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
SMILESc1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1-2
InChIInChI=1S/C60H34O2/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h1-34H/b49-43-,50-44-,53-45-,54-46-
InChIKeyQBOWUNFDCFDPRG-NIFFRPJZSA-N
XLogP17.26
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.93
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran with MolForge

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Related Compounds

4-(28-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-(29-dibenzofuran-4-yl-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;4-[5,28,29-tri(dibenzofuran-4-yl)-4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26(31),27,29,33,35,37,39,41,43,45,47-tetracosaenyl]dibenzofuran;2-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran;2-(4-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2(7),3,5,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 159395246
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
CID 157312944
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172

Frequently Asked Questions

What is the IUPAC name of 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran?
The IUPAC name of 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran (CID 134428938) is 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran.
What is the SMILES notation for 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran?
The canonical SMILES for 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran is c1ccc2c(c1)-c1cc(-c3ccc4oc5ccccc5c4c3)ccc1-c1cc3c4ccccc4c4ccccc4c3cc1-c1ccc(-c3ccc4oc5ccccc5c4c3)cc1-2.
What is the InChIKey of 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran?
The InChIKey is QBOWUNFDCFDPRG-NIFFRPJZSA-N. The full InChI is InChI=1S/C60H34O2/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)52-34-54-46-26-22-36(38-24-28-60-56(32-38)48-18-8-10-20-58(48)62-60)30-50(46)44-16-6-5-15-43(44)49-29-35(21-25-45(49)53(54)33-51(41)52)37-23-27-59-55(31-37)47-17-7-9-19-57(47)61-59/h1-34H/b49-43-,50-44-,53-45-,54-46-.
What are the key properties of 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran?
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran has a molecular weight of 786.93 g/mol, XLogP of 17.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran is sourced from PubChem (CID 134428938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).