26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene

C56H30O2 — CID 164741587

IUPAC26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5c5cc7oc8ccc9ccccc9c8c7cc65)ccc34)ccc1-2
InChIInChI=1S/C56H30O2/c1-2-10-37-31(7-1)19-24-51-56(37)50-29-48-41-21-16-33(25-46(41)38-11-3-4-12-39(38)49(48)30-54(50)57-51)35-17-22-42-43-23-18-36(28-53(43)58-52(42)27-35)34-15-20-40-44-13-5-8-32-9-6-14-45(55(32)44)47(40)26-34/h1-30H
InChIKeyWRTKHRQHUFJCNM-UHFFFAOYSA-N
MW734.85 g/mol
LogP16.23
Rot. Bonds2

About 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene

26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene (PubChem CID 164741587) has the molecular formula C56H30O2 and a molecular weight of 734.85 g/mol. Its IUPAC name is 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

Compound Name26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
PubChem CID164741587
Molecular FormulaC56H30O2
Molecular Weight734.85 g/mol
Exact Mass734.22
IUPAC Name26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
SMILESc1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5c5cc7oc8ccc9ccccc9c8c7cc65)ccc34)ccc1-2
InChIInChI=1S/C56H30O2/c1-2-10-37-31(7-1)19-24-51-56(37)50-29-48-41-21-16-33(25-46(41)38-11-3-4-12-39(38)49(48)30-54(50)57-51)35-17-22-42-43-23-18-36(28-53(43)58-52(42)27-35)34-15-20-40-44-13-5-8-32-9-6-14-45(55(32)44)47(40)26-34/h1-30H
InChIKeyWRTKHRQHUFJCNM-UHFFFAOYSA-N
XLogP16.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.85
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene with MolForge

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Related Compounds

1-fluoranthen-8-yl-8-phenanthren-3-yldibenzofuran
CID 129100193
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
21-[10-(10-pyren-1-ylanthracen-9-yl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 164721198
21-[9-(4-isocyanophenyl)perylen-3-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 164721177
21-(6-isocyanonaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 147000555
8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
CID 168812619
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
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-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
CID 174184732
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
2-chrysen-6-yl-8-(6-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-chrysen-6-yl-8-(7-chrysen-6-ylnaphthalen-2-yl)dibenzofuran;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran;2-(7-fluoranthen-3-ylnaphthalen-2-yl)-8-naphthalen-2-yldibenzofuran
CID 159150176
2-fluoranthen-8-yl-4-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-5-yl)-6-phenyl-1,3,5-triazine
CID 166848284

Frequently Asked Questions

What is the IUPAC name of 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?
The IUPAC name of 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene (CID 164741587) is 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene.
What is the SMILES notation for 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?
The canonical SMILES for 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene is c1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)oc3cc(-c5ccc6c(c5)c5ccccc5c5cc7oc8ccc9ccccc9c8c7cc65)ccc34)ccc1-2.
What is the InChIKey of 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?
The InChIKey is WRTKHRQHUFJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30O2/c1-2-10-37-31(7-1)19-24-51-56(37)50-29-48-41-21-16-33(25-46(41)38-11-3-4-12-39(38)49(48)30-54(50)57-51)35-17-22-42-43-23-18-36(28-53(43)58-52(42)27-35)34-15-20-40-44-13-5-8-32-9-6-14-45(55(32)44)47(40)26-34/h1-30H.
What are the key properties of 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?
26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 734.85 g/mol, XLogP of 16.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(7-fluoranthen-8-yldibenzofuran-3-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 164741587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).