5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile

C28H12F4N4 — CID 58838839

IUPAC5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2ccc3ccccc32)c2c(F)c(F)c(F)c(F)c2c1-n1ccc2ccccc21
InChIInChI=1S/C28H12F4N4/c29-23-21-22(24(30)26(32)25(23)31)28(36-12-10-16-6-2-4-8-20(16)36)18(14-34)17(13-33)27(21)35-11-9-15-5-1-3-7-19(15)35/h1-12H
InChIKeyDVKHOLCFGUYBBZ-UHFFFAOYSA-N
MW480.42 g/mol
LogP7.03
Rot. Bonds2

About 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile

5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile (PubChem CID 58838839) has the molecular formula C28H12F4N4 and a molecular weight of 480.42 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile
PubChem CID58838839
Molecular FormulaC28H12F4N4
Molecular Weight480.42 g/mol
Exact Mass480.10
IUPAC Name5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2ccc3ccccc32)c2c(F)c(F)c(F)c(F)c2c1-n1ccc2ccccc21
InChIInChI=1S/C28H12F4N4/c29-23-21-22(24(30)26(32)25(23)31)28(36-12-10-16-6-2-4-8-20(16)36)18(14-34)17(13-33)27(21)35-11-9-15-5-1-3-7-19(15)35/h1-12H
InChIKeyDVKHOLCFGUYBBZ-UHFFFAOYSA-N
XLogP7.03
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile?
The IUPAC name of 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile (CID 58838839) is 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile?
The canonical SMILES for 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile is N#Cc1c(C#N)c(-n2ccc3ccccc32)c2c(F)c(F)c(F)c(F)c2c1-n1ccc2ccccc21.
What is the InChIKey of 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile?
The InChIKey is DVKHOLCFGUYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12F4N4/c29-23-21-22(24(30)26(32)25(23)31)28(36-12-10-16-6-2-4-8-20(16)36)18(14-34)17(13-33)27(21)35-11-9-15-5-1-3-7-19(15)35/h1-12H.
What are the key properties of 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile?
5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile has a molecular weight of 480.42 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-1,4-di(indol-1-yl)naphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 58838839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).