4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene

C34H28F2N6O — CID 118873726

IUPAC4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene
SMILESFc1cc2c(n1-c1ccc3c(c1)oc1cc(-n4c(F)cc5c4-n4nccc4CCCC5)ccc13)-n1nccc1CCCC2
InChIInChI=1S/C34H28F2N6O/c35-31-17-21-5-1-3-7-23-13-15-37-41(23)33(21)39(31)25-9-11-27-28-12-10-26(20-30(28)43-29(27)19-25)40-32(36)18-22-6-2-4-8-24-14-16-38-42(24)34(22)40/h9-20H,1-8H2
InChIKeySFPXHWDUYSOBGI-UHFFFAOYSA-N
MW574.64 g/mol
LogP7.57
Rot. Bonds2

About 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene

4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene (PubChem CID 118873726) has the molecular formula C34H28F2N6O and a molecular weight of 574.64 g/mol. Its IUPAC name is 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene.

Molecular Properties

Compound Name4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene
PubChem CID118873726
Molecular FormulaC34H28F2N6O
Molecular Weight574.64 g/mol
Exact Mass574.23
IUPAC Name4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene
SMILESFc1cc2c(n1-c1ccc3c(c1)oc1cc(-n4c(F)cc5c4-n4nccc4CCCC5)ccc13)-n1nccc1CCCC2
InChIInChI=1S/C34H28F2N6O/c35-31-17-21-5-1-3-7-23-13-15-37-41(23)33(21)39(31)25-9-11-27-28-12-10-26(20-30(28)43-29(27)19-25)40-32(36)18-22-6-2-4-8-24-14-16-38-42(24)34(22)40/h9-20H,1-8H2
InChIKeySFPXHWDUYSOBGI-UHFFFAOYSA-N
XLogP7.57
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene?
The IUPAC name of 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene (CID 118873726) is 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene.
What is the SMILES notation for 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene?
The canonical SMILES for 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene is Fc1cc2c(n1-c1ccc3c(c1)oc1cc(-n4c(F)cc5c4-n4nccc4CCCC5)ccc13)-n1nccc1CCCC2.
What is the InChIKey of 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene?
The InChIKey is SFPXHWDUYSOBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N6O/c35-31-17-21-5-1-3-7-23-13-15-37-41(23)33(21)39(31)25-9-11-27-28-12-10-26(20-30(28)43-29(27)19-25)40-32(36)18-22-6-2-4-8-24-14-16-38-42(24)34(22)40/h9-20H,1-8H2.
What are the key properties of 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene?
4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene has a molecular weight of 574.64 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[7-(4-fluoro-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraen-3-yl)dibenzofuran-3-yl]-1,3,14-triazatricyclo[9.3.0.02,6]tetradeca-2(6),4,11,13-tetraene is sourced from PubChem (CID 118873726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).