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

C154H104O5 — CID 157312944

IUPAC2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
SMILESC.C.C.C.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c1-c1ccccc1-2
InChIInChI=1S/C54H32O.2C48H28O2.4CH4/c1-3-15-38-36(13-1)40-17-6-8-21-44(40)51-32-35(33-26-28-53-50(29-33)46-22-11-12-24-52(46)55-53)31-48(54(51)47-23-10-9-19-42(38)47)34-25-27-45-41-18-4-2-14-37(41)39-16-5-7-20-43(39)49(45)30-34;1-2-13-32-31(12-1)33-14-3-4-16-35(33)42-27-30(29-24-25-46-41(26-29)37-18-8-9-22-44(37)49-46)28-43(47(42)38-19-6-5-15-34(32)38)40-21-11-20-39-36-17-7-10-23-45(36)50-48(39)40;1-2-12-33-32(11-1)34-13-3-4-15-36(34)43-28-31(29-21-23-46-41(25-29)37-16-7-9-19-44(37)49-46)27-40(48(43)39-18-6-5-14-35(33)39)30-22-24-47-42(26-30)38-17-8-10-20-45(38)50-47;;;;/h1-32H;2*1-28H;4*1H4/b40-36-,42-38-,51-44-,54-47-;33-31-,34-32-,42-35-,47-38+;34-32-,35-33-,43-36-,48-39-;;;;
InChIKeyBDGFNRCVJUDXOV-GBJYOORYSA-N
MW2034.52 g/mol
LogP45.51
Rot. Bonds6

About 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

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 (PubChem CID 157312944) has the molecular formula C154H104O5 and a molecular weight of 2034.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
PubChem CID157312944
Molecular FormulaC154H104O5
Molecular Weight2034.52 g/mol
Exact Mass2032.79
IUPAC Name2-(3-dibenzofuran-2-yltetraphenylen-1-yl)dibenzofuran;2-(4-dibenzofuran-4-yltetraphenylen-2-yl)dibenzofuran;methane;2-(4-triphenylen-2-yltetraphenylen-2-yl)dibenzofuran
SMILESC.C.C.C.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c1-c1ccccc1-2
InChIInChI=1S/C54H32O.2C48H28O2.4CH4/c1-3-15-38-36(13-1)40-17-6-8-21-44(40)51-32-35(33-26-28-53-50(29-33)46-22-11-12-24-52(46)55-53)31-48(54(51)47-23-10-9-19-42(38)47)34-25-27-45-41-18-4-2-14-37(41)39-16-5-7-20-43(39)49(45)30-34;1-2-13-32-31(12-1)33-14-3-4-16-35(33)42-27-30(29-24-25-46-41(26-29)37-18-8-9-22-44(37)49-46)28-43(47(42)38-19-6-5-15-34(32)38)40-21-11-20-39-36-17-7-10-23-45(36)50-48(39)40;1-2-12-33-32(11-1)34-13-3-4-15-36(34)43-28-31(29-21-23-46-41(25-29)37-16-7-9-19-44(37)49-46)27-40(48(43)39-18-6-5-14-35(33)39)30-22-24-47-42(26-30)38-17-8-10-20-45(38)50-47;;;;/h1-32H;2*1-28H;4*1H4/b40-36-,42-38-,51-44-,54-47-;33-31-,34-32-,42-35-,47-38+;34-32-,35-33-,43-36-,48-39-;;;;
InChIKeyBDGFNRCVJUDXOV-GBJYOORYSA-N
XLogP45.51
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002034.52
LogP ≤ 545.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
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
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
10-dibenzofuran-2-yl-2-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441902
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
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-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c1-c1ccccc1-2.c1ccc2c(c1)-c1ccccc1-c1cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c1-c1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is BDGFNRCVJUDXOV-GBJYOORYSA-N. The full InChI is InChI=1S/C54H32O.2C48H28O2.4CH4/c1-3-15-38-36(13-1)40-17-6-8-21-44(40)51-32-35(33-26-28-53-50(29-33)46-22-11-12-24-52(46)55-53)31-48(54(51)47-23-10-9-19-42(38)47)34-25-27-45-41-18-4-2-14-37(41)39-16-5-7-20-43(39)49(45)30-34;1-2-13-32-31(12-1)33-14-3-4-16-35(33)42-27-30(29-24-25-46-41(26-29)37-18-8-9-22-44(37)49-46)28-43(47(42)38-19-6-5-15-34(32)38)40-21-11-20-39-36-17-7-10-23-45(36)50-48(39)40;1-2-12-33-32(11-1)34-13-3-4-15-36(34)43-28-31(29-21-23-46-41(25-29)37-16-7-9-19-44(37)49-46)27-40(48(43)39-18-6-5-14-35(33)39)30-22-24-47-42(26-30)38-17-8-10-20-45(38)50-47;;;;/h1-32H;2*1-28H;4*1H4/b40-36-,42-38-,51-44-,54-47-;33-31-,34-32-,42-35-,47-38+;34-32-,35-33-,43-36-,48-39-;;;;.
What are the key properties of 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?
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 has a molecular weight of 2034.52 g/mol, XLogP of 45.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157312944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).