8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene

C26H17F3 — CID 59002165

IUPAC8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc1c24)-c1ccccc1-3
InChIInChI=1S/C26H17F3/c1-25(2)21-12-11-19-16-6-4-3-5-15(16)18-9-10-20(24(21)23(18)19)17-8-7-14(13-22(17)25)26(27,28)29/h3-13H,1-2H3
InChIKeyDFPXRHHVLRNTBD-UHFFFAOYSA-N
MW386.42 g/mol
LogP7.81
Rot. Bonds

About 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene

8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene (PubChem CID 59002165) has the molecular formula C26H17F3 and a molecular weight of 386.42 g/mol. Its IUPAC name is 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
PubChem CID59002165
Molecular FormulaC26H17F3
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
SMILESCC1(C)c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc1c24)-c1ccccc1-3
InChIInChI=1S/C26H17F3/c1-25(2)21-12-11-19-16-6-4-3-5-15(16)18-9-10-20(24(21)23(18)19)17-8-7-14(13-22(17)25)26(27,28)29/h3-13H,1-2H3
InChIKeyDFPXRHHVLRNTBD-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

5-methoxy-8,8-dimethylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002171
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 59196207
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
8,8-dimethyl-5-perylen-3-ylhexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002131
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 88954286
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
2-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 90297078
5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181920

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The IUPAC name of 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene (CID 59002165) is 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The canonical SMILES for 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene is CC1(C)c2cc(C(F)(F)F)ccc2-c2ccc3c4c(ccc1c24)-c1ccccc1-3.
What is the InChIKey of 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
The InChIKey is DFPXRHHVLRNTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3/c1-25(2)21-12-11-19-16-6-4-3-5-15(16)18-9-10-20(24(21)23(18)19)17-8-7-14(13-22(17)25)26(27,28)29/h3-13H,1-2H3.
What are the key properties of 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene?
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene has a molecular weight of 386.42 g/mol, XLogP of 7.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 59002165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).