11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene

C56H26F12 — CID 146161750

IUPAC11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c6c7c(cc8c9c(cc2c(c3c46)c97)-c2ccccc2-8)C5(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C56H26F12/c57-53(58,59)32-15-7-28(8-16-32)51(29-9-17-33(18-10-29)54(60,61)62)40-23-5-27-6-24-41-47-44(27)46(40)48-42(51)25-38-36-3-1-2-4-37(36)39-26-43(49(47)50(48)45(38)39)52(41,30-11-19-34(20-12-30)55(63,64)65)31-13-21-35(22-14-31)56(66,67)68/h1-26H
InChIKeyIAIHKCKCGIFVGY-UHFFFAOYSA-N
MW926.80 g/mol
LogP16.85
Rot. Bonds4

About 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene

11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene (PubChem CID 146161750) has the molecular formula C56H26F12 and a molecular weight of 926.80 g/mol. Its IUPAC name is 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene.

Molecular Properties

Compound Name11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene
PubChem CID146161750
Molecular FormulaC56H26F12
Molecular Weight926.80 g/mol
Exact Mass926.18
IUPAC Name11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c6c7c(cc8c9c(cc2c(c3c46)c97)-c2ccccc2-8)C5(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C56H26F12/c57-53(58,59)32-15-7-28(8-16-32)51(29-9-17-33(18-10-29)54(60,61)62)40-23-5-27-6-24-41-47-44(27)46(40)48-42(51)25-38-36-3-1-2-4-37(36)39-26-43(49(47)50(48)45(38)39)52(41,30-11-19-34(20-12-30)55(63,64)65)31-13-21-35(22-14-31)56(66,67)68/h1-26H
InChIKeyIAIHKCKCGIFVGY-UHFFFAOYSA-N
XLogP16.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.80
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene?
The IUPAC name of 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene (CID 146161750) is 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene.
What is the SMILES notation for 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene?
The canonical SMILES for 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene is FC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)c3ccc4ccc5c6c7c(cc8c9c(cc2c(c3c46)c97)-c2ccccc2-8)C5(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene?
The InChIKey is IAIHKCKCGIFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H26F12/c57-53(58,59)32-15-7-28(8-16-32)51(29-9-17-33(18-10-29)54(60,61)62)40-23-5-27-6-24-41-47-44(27)46(40)48-42(51)25-38-36-3-1-2-4-37(36)39-26-43(49(47)50(48)45(38)39)52(41,30-11-19-34(20-12-30)55(63,64)65)31-13-21-35(22-14-31)56(66,67)68/h1-26H.
What are the key properties of 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene?
11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene has a molecular weight of 926.80 g/mol, XLogP of 16.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,19,19-tetrakis[4-(trifluoromethyl)phenyl]nonacyclo[18.7.1.02,7.08,27.010,25.012,24.015,23.018,22.021,26]octacosa-1(28),2,4,6,8,10(25),12(24),13,15(23),16,18(22),20,26-tridecaene is sourced from PubChem (CID 146161750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).