7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

C24H10F6OS — CID 135243468

IUPAC7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESFC(F)(F)c1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5sc34)c2c1
InChIInChI=1S/C24H10F6OS/c25-23(26,27)11-1-7-19-17(9-11)14-4-5-15-13(21(14)31-19)3-6-16-18-10-12(24(28,29)30)2-8-20(18)32-22(15)16/h1-10H
InChIKeyLUFDEAJKBOSCDU-UHFFFAOYSA-N
MW460.40 g/mol
LogP9.14
Rot. Bonds

About 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene

7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 135243468) has the molecular formula C24H10F6OS and a molecular weight of 460.40 g/mol. Its IUPAC name is 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID135243468
Molecular FormulaC24H10F6OS
Molecular Weight460.40 g/mol
Exact Mass460.04
IUPAC Name7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
SMILESFC(F)(F)c1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5sc34)c2c1
InChIInChI=1S/C24H10F6OS/c25-23(26,27)11-1-7-19-17(9-11)14-4-5-15-13(21(14)31-19)3-6-16-18-10-12(24(28,29)30)2-8-20(18)32-22(15)16/h1-10H
InChIKeyLUFDEAJKBOSCDU-UHFFFAOYSA-N
XLogP9.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene with MolForge

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Related Compounds

7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938417
7,19-bis(octylsulfanyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242826
7-methyl-19-octyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135243440
9-(7-carbazol-9-yl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-16-yl)carbazole
CID 59147172
8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 154276626
2-methoxy-8-(trifluoromethyl)dibenzothiophene
CID 46873336
2-[8-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzothiophen-4-yl]-8-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 175611464
6-[(E)-2-(3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-yl)ethenyl]-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 135242901
1-[8-(trifluoromethyl)dibenzothiophen-2-yl]ethanone
CID 122641680
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
CID 118616283
N-naphthalen-1-yl-5-phenyl-N-(5-phenylnaphtho[1,2-b][1]benzothiol-8-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 118616463
9-N,9-N,23-N,23-N-tetrakis[4-(trifluoromethyl)phenyl]-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155361001

Frequently Asked Questions

What is the IUPAC name of 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene (CID 135243468) is 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is FC(F)(F)c1ccc2oc3c(ccc4c3ccc3c5cc(C(F)(F)F)ccc5sc34)c2c1.
What is the InChIKey of 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is LUFDEAJKBOSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F6OS/c25-23(26,27)11-1-7-19-17(9-11)14-4-5-15-13(21(14)31-19)3-6-16-18-10-12(24(28,29)30)2-8-20(18)32-22(15)16/h1-10H.
What are the key properties of 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene?
7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 460.40 g/mol, XLogP of 9.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-bis(trifluoromethyl)-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 135243468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).