2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C48H30F6N6O2 — CID 155419072

IUPAC2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC/C=c1\c(=C/C)n(-c2cc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)c(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C48H30F6N6O2/c1-3-31-32-11-5-8-14-38(32)59(37(31)4-2)41-25-35(45-57-55-43(61-45)27-17-21-29(22-18-27)47(49,50)51)36(46-58-56-44(62-46)28-19-23-30(24-20-28)48(52,53)54)26-42(41)60-39-15-9-6-12-33(39)34-13-7-10-16-40(34)60/h3-26H,1-2H3/b31-3-,37-4+
InChIKeyFOVKNSXATRTWNJ-YVGAXAIHSA-N
MW836.80 g/mol
LogP11.80
Rot. Bonds6

About 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 155419072) has the molecular formula C48H30F6N6O2 and a molecular weight of 836.80 g/mol. Its IUPAC name is 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID155419072
Molecular FormulaC48H30F6N6O2
Molecular Weight836.80 g/mol
Exact Mass836.23
IUPAC Name2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC/C=c1\c(=C/C)n(-c2cc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)c(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2-n2c3ccccc3c3ccccc32)c2ccccc12
InChIInChI=1S/C48H30F6N6O2/c1-3-31-32-11-5-8-14-38(32)59(37(31)4-2)41-25-35(45-57-55-43(61-45)27-17-21-29(22-18-27)47(49,50)51)36(46-58-56-44(62-46)28-19-23-30(24-20-28)48(52,53)54)26-42(41)60-39-15-9-6-12-33(39)34-13-7-10-16-40(34)60/h3-26H,1-2H3/b31-3-,37-4+
InChIKeyFOVKNSXATRTWNJ-YVGAXAIHSA-N
XLogP11.80
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.80
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 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 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 155419072) is 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is C/C=c1\c(=C/C)n(-c2cc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)c(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2-n2c3ccccc3c3ccccc32)c2ccccc12.
What is the InChIKey of 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is FOVKNSXATRTWNJ-YVGAXAIHSA-N. The full InChI is InChI=1S/C48H30F6N6O2/c1-3-31-32-11-5-8-14-38(32)59(37(31)4-2)41-25-35(45-57-55-43(61-45)27-17-21-29(22-18-27)47(49,50)51)36(46-58-56-44(62-46)28-19-23-30(24-20-28)48(52,53)54)26-42(41)60-39-15-9-6-12-33(39)34-13-7-10-16-40(34)60/h3-26H,1-2H3/b31-3-,37-4+.
What are the key properties of 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 836.80 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbazol-9-yl-5-[(2E,3Z)-2,3-di(ethylidene)indol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155419072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).