8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

C17H14F2N6 — CID 163302549

IUPAC8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESCc1nc2c3n1CCCN3C(c1c(F)cccc1F)=Nc1cn[nH]c1-2
InChIInChI=1S/C17H14F2N6/c1-9-21-15-14-12(8-20-23-14)22-16(13-10(18)4-2-5-11(13)19)25-7-3-6-24(9)17(15)25/h2,4-5,8H,3,6-7H2,1H3,(H,20,23)
InChIKeyHHJYOXLPIFEEBP-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.16
Rot. Bonds1

About 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (PubChem CID 163302549) has the molecular formula C17H14F2N6 and a molecular weight of 340.34 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
PubChem CID163302549
Molecular FormulaC17H14F2N6
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESCc1nc2c3n1CCCN3C(c1c(F)cccc1F)=Nc1cn[nH]c1-2
InChIInChI=1S/C17H14F2N6/c1-9-21-15-14-12(8-20-23-14)22-16(13-10(18)4-2-5-11(13)19)25-7-3-6-24(9)17(15)25/h2,4-5,8H,3,6-7H2,1H3,(H,20,23)
InChIKeyHHJYOXLPIFEEBP-UHFFFAOYSA-N
XLogP3.16
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The IUPAC name of 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (CID 163302549) is 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.
What is the SMILES notation for 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The canonical SMILES for 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is Cc1nc2c3n1CCCN3C(c1c(F)cccc1F)=Nc1cn[nH]c1-2.
What is the InChIKey of 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The InChIKey is HHJYOXLPIFEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6/c1-9-21-15-14-12(8-20-23-14)22-16(13-10(18)4-2-5-11(13)19)25-7-3-6-24(9)17(15)25/h2,4-5,8H,3,6-7H2,1H3,(H,20,23).
What are the key properties of 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene has a molecular weight of 340.34 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is sourced from PubChem (CID 163302549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).