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

C49H30F6N6O2 — CID 163843190

IUPAC2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC=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
InChIInChI=1S/C49H30F6N6O2/c1-3-11-32-33-12-5-8-15-39(33)60(38(32)4-2)42-26-36(46-58-56-44(62-46)28-18-22-30(23-19-28)48(50,51)52)37(47-59-57-45(63-47)29-20-24-31(25-21-29)49(53,54)55)27-43(42)61-40-16-9-6-13-34(40)35-14-7-10-17-41(35)61/h3-27H,1H2,2H3/b32-11-,38-4+
InChIKeyONVFBUYBUOIRCF-ZKOAGJTNSA-N
MW848.81 g/mol
LogP11.97
Rot. Bonds7

About 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 163843190) has the molecular formula C49H30F6N6O2 and a molecular weight of 848.81 g/mol. Its IUPAC name is 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID163843190
Molecular FormulaC49H30F6N6O2
Molecular Weight848.81 g/mol
Exact Mass848.23
IUPAC Name2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC=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
InChIInChI=1S/C49H30F6N6O2/c1-3-11-32-33-12-5-8-15-39(33)60(38(32)4-2)42-26-36(46-58-56-44(62-46)28-18-22-30(23-19-28)48(50,51)52)37(47-59-57-45(63-47)29-20-24-31(25-21-29)49(53,54)55)27-43(42)61-40-16-9-6-13-34(40)35-14-7-10-17-41(35)61/h3-27H,1H2,2H3/b32-11-,38-4+
InChIKeyONVFBUYBUOIRCF-ZKOAGJTNSA-N
XLogP11.97
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.81
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2-[4,5-Di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122661578
2-[3,5-Di(carbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 68023475
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661579
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661610
2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 142301722
2-[3-Carbazol-9-yl-5-(4-methylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 144409188
2-[4,5-Di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 147423142
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
2-[4,5-Di(carbazol-9-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-methyl-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;2-[4,5-di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 159721764
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-[2,4-bis(trifluoromethyl)phenyl]phenyl]carbazole;2-[4-[4-(cyano-isocyano-phenylmethyl)-N-[4-(cyano-isocyano-phenylmethyl)phenyl]anilino]phenyl]-2-isocyano-2-phenylacetonitrile;2-[4-(trifluoromethyl)phenyl]-5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;1,3,5-tris[4-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 161873785

Frequently Asked Questions

What is the IUPAC name of 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-1-yl]-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 163843190) is 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-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/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-ethylidene-3-prop-2-enylideneindol-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 ONVFBUYBUOIRCF-ZKOAGJTNSA-N. The full InChI is InChI=1S/C49H30F6N6O2/c1-3-11-32-33-12-5-8-15-39(33)60(38(32)4-2)42-26-36(46-58-56-44(62-46)28-18-22-30(23-19-28)48(50,51)52)37(47-59-57-45(63-47)29-20-24-31(25-21-29)49(53,54)55)27-43(42)61-40-16-9-6-13-34(40)35-14-7-10-17-41(35)61/h3-27H,1H2,2H3/b32-11-,38-4+.
What are the key properties of 2-[4-carbazol-9-yl-5-[(2E,3Z)-2-ethylidene-3-prop-2-enylideneindol-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-ethylidene-3-prop-2-enylideneindol-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 848.81 g/mol, XLogP of 11.97, 7 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-ethylidene-3-prop-2-enylideneindol-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 163843190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).