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

C16H12F2N6 — CID 163302597

IUPAC8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESFc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H12F2N6/c17-10-3-1-4-11(18)13(10)15-21-12-8-19-22-14(12)9-7-20-24-6-2-5-23(15)16(9)24/h1,3-4,7-8H,2,5-6H2,(H,19,22)
InChIKeyNTLDJWYHDAANKC-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.85
Rot. Bonds1

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

8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (PubChem CID 163302597) has the molecular formula C16H12F2N6 and a molecular weight of 326.31 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
PubChem CID163302597
Molecular FormulaC16H12F2N6
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC Name8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESFc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H12F2N6/c17-10-3-1-4-11(18)13(10)15-21-12-8-19-22-14(12)9-7-20-24-6-2-5-23(15)16(9)24/h1,3-4,7-8H,2,5-6H2,(H,19,22)
InChIKeyNTLDJWYHDAANKC-UHFFFAOYSA-N
XLogP2.85
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[(2-fluorophenyl)methyl]-7-(1H-pyrazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9836304
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CID 22015484
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 89613944
1-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine
CID 44378975
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187
1-[(4-Fluorophenyl)methyl]-5-(6-methylpyridazin-3-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56756519
5-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 736988
N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 31016919
3-(2,4-Difluorophenyl)-5-(1-phenyltetrazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31125360
4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 126800693

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-3,4,7,9,13,14-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)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (CID 163302597) is 8-(2,6-difluorophenyl)-3,4,7,9,13,14-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)-3,4,7,9,13,14-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)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is Fc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3.
What is the InChIKey of 8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The InChIKey is NTLDJWYHDAANKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6/c17-10-3-1-4-11(18)13(10)15-21-12-8-19-22-14(12)9-7-20-24-6-2-5-23(15)16(9)24/h1,3-4,7-8H,2,5-6H2,(H,19,22).
What are the key properties of 8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
8-(2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene has a molecular weight of 326.31 g/mol, XLogP of 2.85, 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)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is sourced from PubChem (CID 163302597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).