2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole

C42H30F2N4O5 — CID 122432540

IUPAC2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc(F)c1-c1nnc(-c2c(F)cccc2-n2c3ccc(OC)cc3c3cc(OC)ccc32)o1
InChIInChI=1S/C42H30F2N4O5/c1-49-23-11-15-33-27(19-23)28-20-24(50-2)12-16-34(28)47(33)37-9-5-7-31(43)39(37)41-45-46-42(53-41)40-32(44)8-6-10-38(40)48-35-17-13-25(51-3)21-29(35)30-22-26(52-4)14-18-36(30)48/h5-22H,1-4H3
InChIKeyYEZPNOGRWNDWIV-UHFFFAOYSA-N
MW708.72 g/mol
LogP9.91
Rot. Bonds8

About 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole

2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole (PubChem CID 122432540) has the molecular formula C42H30F2N4O5 and a molecular weight of 708.72 g/mol. Its IUPAC name is 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole
PubChem CID122432540
Molecular FormulaC42H30F2N4O5
Molecular Weight708.72 g/mol
Exact Mass708.22
IUPAC Name2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc(F)c1-c1nnc(-c2c(F)cccc2-n2c3ccc(OC)cc3c3cc(OC)ccc32)o1
InChIInChI=1S/C42H30F2N4O5/c1-49-23-11-15-33-27(19-23)28-20-24(50-2)12-16-34(28)47(33)37-9-5-7-31(43)39(37)41-45-46-42(53-41)40-32(44)8-6-10-38(40)48-35-17-13-25(51-3)21-29(35)30-22-26(52-4)14-18-36(30)48/h5-22H,1-4H3
InChIKeyYEZPNOGRWNDWIV-UHFFFAOYSA-N
XLogP9.91
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.72
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-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

Related Compounds

(2-Fluoro-9-methoxy-11-phenylindolo[1,2-b]cinnolin-12-yl)-phenylmethanone
CID 162409807
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602
2,5-Bis[2-(3,6-dimethoxycarbazol-9-yl)-3-fluorophenyl]-1,3,4-oxadiazole
CID 122432537
2,5-Bis[2-(3,6-dimethoxycarbazol-9-yl)-4,5-difluorophenyl]-1,3,4-oxadiazole
CID 145125478
2,5-Bis[2-(3,6-dimethoxycarbazol-9-yl)-4-fluorophenyl]-1,3,4-oxadiazole
CID 145125480
5-[(1-benzoyl-5-methoxy-2-methylindol-3-yl)methyl]-2-(trifluoromethyl)-4H-pyrazol-3-one
CID 145823795
5-[(1-benzoyl-5-methoxy-2-methylindol-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 153707450
2-[6-fluoro-1-[(4-methoxyphenyl)methyl]indol-3-yl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 136237495
5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-2-(3-chlorophenyl)-4H-pyrazol-3-one;5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 157836247
5-[(1-butanoyl-5-methoxy-2-methylindol-3-yl)methyl]-2-cyclohexyl-4H-pyrazol-3-one;5-[[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
CID 159552067
1,5-Dimethyl-3-phenylindole-2-carboxamide;5-methoxy-1-methyl-3-phenylindole-2-carboxamide;1-methyl-3-phenyl-5-(trifluoromethyl)indole-2-carboxamide
CID 159787896
5-[(1-benzyl-2-methylindol-3-yl)methyl]-2-cyclohexyl-4H-pyrazol-3-one;4-[5-methoxy-2-methyl-3-[[5-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrazol-3-yl]methyl]indole-1-carbonyl]benzonitrile
CID 161672874

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole (CID 122432540) is 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1cccc(F)c1-c1nnc(-c2c(F)cccc2-n2c3ccc(OC)cc3c3cc(OC)ccc32)o1.
What is the InChIKey of 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole?
The InChIKey is YEZPNOGRWNDWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F2N4O5/c1-49-23-11-15-33-27(19-23)28-20-24(50-2)12-16-34(28)47(33)37-9-5-7-31(43)39(37)41-45-46-42(53-41)40-32(44)8-6-10-38(40)48-35-17-13-25(51-3)21-29(35)30-22-26(52-4)14-18-36(30)48/h5-22H,1-4H3.
What are the key properties of 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole?
2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole has a molecular weight of 708.72 g/mol, XLogP of 9.91, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(3,6-dimethoxycarbazol-9-yl)-6-fluorophenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122432540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).