(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole

C32H21F10N — CID 170069786

IUPAC(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole
SMILESCC/C=C\C=C1/Cc2cc(C)ccc2N1c1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C2C(F)=C(F)C(F)=C(F)C2F)c1
InChIInChI=1S/C32H21F10N/c1-3-4-5-6-18-11-15-9-14(2)7-8-20(15)43(18)19-12-16(21-23(33)27(37)31(41)28(38)24(21)34)10-17(13-19)22-25(35)29(39)32(42)30(40)26(22)36/h4-10,12-13,21,23H,3,11H2,1-2H3/b5-4-,18-6+
InChIKeyFGBNQBONSZZTAS-ZMPDOZHJSA-N
MW609.51 g/mol
LogP10.64
Rot. Bonds5

About (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole

(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole (PubChem CID 170069786) has the molecular formula C32H21F10N and a molecular weight of 609.51 g/mol. Its IUPAC name is (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole.

Molecular Properties

Compound Name(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole
PubChem CID170069786
Molecular FormulaC32H21F10N
Molecular Weight609.51 g/mol
Exact Mass609.15
IUPAC Name(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole
SMILESCC/C=C\C=C1/Cc2cc(C)ccc2N1c1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C2C(F)=C(F)C(F)=C(F)C2F)c1
InChIInChI=1S/C32H21F10N/c1-3-4-5-6-18-11-15-9-14(2)7-8-20(15)43(18)19-12-16(21-23(33)27(37)31(41)28(38)24(21)34)10-17(13-19)22-25(35)29(39)32(42)30(40)26(22)36/h4-10,12-13,21,23H,3,11H2,1-2H3/b5-4-,18-6+
InChIKeyFGBNQBONSZZTAS-ZMPDOZHJSA-N
XLogP10.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.51
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole?
The IUPAC name of (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole (CID 170069786) is (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole.
What is the SMILES notation for (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole?
The canonical SMILES for (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole is CC/C=C\C=C1/Cc2cc(C)ccc2N1c1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C2C(F)=C(F)C(F)=C(F)C2F)c1.
What is the InChIKey of (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole?
The InChIKey is FGBNQBONSZZTAS-ZMPDOZHJSA-N. The full InChI is InChI=1S/C32H21F10N/c1-3-4-5-6-18-11-15-9-14(2)7-8-20(15)43(18)19-12-16(21-23(33)27(37)31(41)28(38)24(21)34)10-17(13-19)22-25(35)29(39)32(42)30(40)26(22)36/h4-10,12-13,21,23H,3,11H2,1-2H3/b5-4-,18-6+.
What are the key properties of (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole?
(2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole has a molecular weight of 609.51 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-1-[3-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-5-(2,3,4,5,6-pentafluorophenyl)phenyl]-2-[(Z)-pent-2-enylidene]-3H-indole is sourced from PubChem (CID 170069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).