6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile

C38H12F6N10O2 — CID 166813977

IUPAC6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2ccc(-c3cc4c(cc3OC(F)(F)F)C(C(C#N)C#N)c3cc(OC(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3-4)cc2nc1C#N
InChIInChI=1S/C38H12F6N10O2/c39-37(40,41)55-34-9-24-22(7-20(34)17-1-3-26-28(5-17)53-32(15-49)30(13-47)51-26)23-8-21(18-2-4-27-29(6-18)54-33(16-50)31(14-48)52-27)35(56-38(42,43)44)10-25(23)36(24)19(11-45)12-46/h1-10,19,36H
InChIKeyFLYCXNLLDZNSAQ-UHFFFAOYSA-N
MW754.57 g/mol
LogP7.97
Rot. Bonds5

About 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile

6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile (PubChem CID 166813977) has the molecular formula C38H12F6N10O2 and a molecular weight of 754.57 g/mol. Its IUPAC name is 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile
PubChem CID166813977
Molecular FormulaC38H12F6N10O2
Molecular Weight754.57 g/mol
Exact Mass754.10
IUPAC Name6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile
SMILESN#Cc1nc2ccc(-c3cc4c(cc3OC(F)(F)F)C(C(C#N)C#N)c3cc(OC(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3-4)cc2nc1C#N
InChIInChI=1S/C38H12F6N10O2/c39-37(40,41)55-34-9-24-22(7-20(34)17-1-3-26-28(5-17)53-32(15-49)30(13-47)51-26)23-8-21(18-2-4-27-29(6-18)54-33(16-50)31(14-48)52-27)35(56-38(42,43)44)10-25(23)36(24)19(11-45)12-46/h1-10,19,36H
InChIKeyFLYCXNLLDZNSAQ-UHFFFAOYSA-N
XLogP7.97
TPSA212.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500754.57
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile?
The IUPAC name of 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile (CID 166813977) is 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile.
What is the SMILES notation for 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile?
The canonical SMILES for 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile is N#Cc1nc2ccc(-c3cc4c(cc3OC(F)(F)F)C(C(C#N)C#N)c3cc(OC(F)(F)F)c(-c5ccc6nc(C#N)c(C#N)nc6c5)cc3-4)cc2nc1C#N.
What is the InChIKey of 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile?
The InChIKey is FLYCXNLLDZNSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H12F6N10O2/c39-37(40,41)55-34-9-24-22(7-20(34)17-1-3-26-28(5-17)53-32(15-49)30(13-47)51-26)23-8-21(18-2-4-27-29(6-18)54-33(16-50)31(14-48)52-27)35(56-38(42,43)44)10-25(23)36(24)19(11-45)12-46/h1-10,19,36H.
What are the key properties of 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile?
6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile has a molecular weight of 754.57 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(dicyanomethyl)-6-(2,3-dicyanoquinoxalin-6-yl)-2,7-bis(trifluoromethoxy)-9H-fluoren-3-yl]quinoxaline-2,3-dicarbonitrile is sourced from PubChem (CID 166813977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).