2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene

C39H24F3N — CID 134959138

IUPAC2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
SMILESFC(F)(F)c1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2n34
InChIInChI=1S/C39H24F3N/c40-39(41,42)29-23-30-34(25-13-5-1-6-14-25)36(27-17-9-3-10-18-27)32-21-22-33-37(28-19-11-4-12-20-28)35(26-15-7-2-8-16-26)31(24-29)38(30)43(32)33/h1-24H
InChIKeyLJDWVWAZJBLYGK-UHFFFAOYSA-N
MW563.62 g/mol
LogP11.37
Rot. Bonds4

About 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene

2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene (PubChem CID 134959138) has the molecular formula C39H24F3N and a molecular weight of 563.62 g/mol. Its IUPAC name is 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene.

Molecular Properties

Compound Name2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
PubChem CID134959138
Molecular FormulaC39H24F3N
Molecular Weight563.62 g/mol
Exact Mass563.19
IUPAC Name2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
SMILESFC(F)(F)c1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2n34
InChIInChI=1S/C39H24F3N/c40-39(41,42)29-23-30-34(25-13-5-1-6-14-25)36(27-17-9-3-10-18-27)32-21-22-33-37(28-19-11-4-12-20-28)35(26-15-7-2-8-16-26)31(24-29)38(30)43(32)33/h1-24H
InChIKeyLJDWVWAZJBLYGK-UHFFFAOYSA-N
XLogP11.37
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene with MolForge

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Related Compounds

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8,21-Diazahexacyclo[11.8.1.114,18.02,7.09,22.021,23]tricosa-1(22),2,4,6,8,10,12,14,16,18(23)-decaene
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Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The IUPAC name of 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene (CID 134959138) is 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene.
What is the SMILES notation for 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The canonical SMILES for 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene is FC(F)(F)c1cc2c(-c3ccccc3)c(-c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c(c1)c2n34.
What is the InChIKey of 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
The InChIKey is LJDWVWAZJBLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F3N/c40-39(41,42)29-23-30-34(25-13-5-1-6-14-25)36(27-17-9-3-10-18-27)32-21-22-33-37(28-19-11-4-12-20-28)35(26-15-7-2-8-16-26)31(24-29)38(30)43(32)33/h1-24H.
What are the key properties of 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene?
2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene has a molecular weight of 563.62 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetraphenyl-6-(trifluoromethyl)-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene is sourced from PubChem (CID 134959138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).