17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C34H22F3N3 — CID 71732590

IUPAC17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c1c1nc(-c3ccccc3)c3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C34H22F3N3/c35-34(36,37)27-20-28(23-14-6-2-7-15-23)38-33-29(27)31-32(40(33)21-22-12-4-1-5-13-22)26-19-11-10-18-25(26)30(39-31)24-16-8-3-9-17-24/h1-20H,21H2
InChIKeyUIXXDDHAFAAIJU-UHFFFAOYSA-N
MW529.57 g/mol
LogP9.14
Rot. Bonds4

About 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 71732590) has the molecular formula C34H22F3N3 and a molecular weight of 529.57 g/mol. Its IUPAC name is 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID71732590
Molecular FormulaC34H22F3N3
Molecular Weight529.57 g/mol
Exact Mass529.18
IUPAC Name17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFC(F)(F)c1cc(-c2ccccc2)nc2c1c1nc(-c3ccccc3)c3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C34H22F3N3/c35-34(36,37)27-20-28(23-14-6-2-7-15-23)38-33-29(27)31-32(40(33)21-22-12-4-1-5-13-22)26-19-11-10-18-25(26)30(39-31)24-16-8-3-9-17-24/h1-20H,21H2
InChIKeyUIXXDDHAFAAIJU-UHFFFAOYSA-N
XLogP9.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.57
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

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2-amino-1-[2-(4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
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1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297
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{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methylbenzyl)amine
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Dyrk1A-IN-4
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CID 936790

Frequently Asked Questions

What is the IUPAC name of 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 71732590) is 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is FC(F)(F)c1cc(-c2ccccc2)nc2c1c1nc(-c3ccccc3)c3ccccc3c1n2Cc1ccccc1.
What is the InChIKey of 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is UIXXDDHAFAAIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F3N3/c35-34(36,37)27-20-28(23-14-6-2-7-15-23)38-33-29(27)31-32(40(33)21-22-12-4-1-5-13-22)26-19-11-10-18-25(26)30(39-31)24-16-8-3-9-17-24/h1-20H,21H2.
What are the key properties of 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 529.57 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-benzyl-8,14-diphenyl-12-(trifluoromethyl)-9,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 71732590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).