3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene

C50H26F4 — CID 121401505

IUPAC3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c3c2-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cccc(F)c3)c3ccccc3c2-c2cccc(F)c2)c1
InChIInChI=1S/C50H26F4/c51-31-11-3-7-27(23-31)35-17-18-36(28-8-4-12-32(52)24-28)46-40-20-22-42-48-41(21-19-39(45(35)46)47(40)48)49-43(29-9-5-13-33(53)25-29)37-15-1-2-16-38(37)44(50(42)49)30-10-6-14-34(54)26-30/h1-26H
InChIKeyALIIYOVGTGMIIB-UHFFFAOYSA-N
MW702.75 g/mol
LogP14.51
Rot. Bonds4

About 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene

3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene (PubChem CID 121401505) has the molecular formula C50H26F4 and a molecular weight of 702.75 g/mol. Its IUPAC name is 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene.

Molecular Properties

Compound Name3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
PubChem CID121401505
Molecular FormulaC50H26F4
Molecular Weight702.75 g/mol
Exact Mass702.20
IUPAC Name3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
SMILESFc1cccc(-c2ccc(-c3cccc(F)c3)c3c2-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cccc(F)c3)c3ccccc3c2-c2cccc(F)c2)c1
InChIInChI=1S/C50H26F4/c51-31-11-3-7-27(23-31)35-17-18-36(28-8-4-12-32(52)24-28)46-40-20-22-42-48-41(21-19-39(45(35)46)47(40)48)49-43(29-9-5-13-33(53)25-29)37-15-1-2-16-38(37)44(50(42)49)30-10-6-14-34(54)26-30/h1-26H
InChIKeyALIIYOVGTGMIIB-UHFFFAOYSA-N
XLogP14.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.75
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene with MolForge

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Related Compounds

7,25-bis(3-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,25-bis(4-fluorophenyl)-14,32-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20,22,24,26,28,30,32,34(38),35-icosaene;7,32-bis(3-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene;7,32-bis(4-fluorophenyl)-14,25-diphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(36),2(40),3(19),4(16),5(39),6,8,10,12,14,17,20(37),21,23(38),24,26,28,30,32,34-icosaene
CID 158165747
7,8,10,25,27,28-hexakis(3-fluorophenyl)dodecacyclo[17.17.2.22,5.220,23.03,15.04,12.06,11.016,37.021,33.022,30.024,29.034,38]dotetraconta-1(36),2(42),3(15),4(12),5(41),6,8,10,13,16(37),17,19(38),20,22,24,26,28,30,32,34,39-henicosaene
CID 163474325
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
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CID 58988793
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5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
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CID 140722791
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Frequently Asked Questions

What is the IUPAC name of 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene?
The IUPAC name of 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene (CID 121401505) is 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene.
What is the SMILES notation for 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene?
The canonical SMILES for 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene is Fc1cccc(-c2ccc(-c3cccc(F)c3)c3c2-c2ccc4c5c(ccc-3c25)-c2c-4c(-c3cccc(F)c3)c3ccccc3c2-c2cccc(F)c2)c1.
What is the InChIKey of 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene?
The InChIKey is ALIIYOVGTGMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26F4/c51-31-11-3-7-27(23-31)35-17-18-36(28-8-4-12-32(52)24-28)46-40-20-22-42-48-41(21-19-39(45(35)46)47(40)48)49-43(29-9-5-13-33(53)25-29)37-15-1-2-16-38(37)44(50(42)49)30-10-6-14-34(54)26-30/h1-26H.
What are the key properties of 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene?
3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene has a molecular weight of 702.75 g/mol, XLogP of 14.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17,20-tetrakis(3-fluorophenyl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene is sourced from PubChem (CID 121401505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).