2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene

C90H60N4O2S8 — CID 91391164

IUPAC2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1)c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1.Cc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-31-29(25-27)30-26-28(2)8-10-32(30)47(31,45-21-19-43(54-45)41-17-15-39(52-41)37-13-11-35(50-37)33-5-3-23-48-33)46-22-20-44(55-46)42-18-16-40(53-42)38-14-12-36(51-38)34-6-4-24-49-34;1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)43(37,33-19-15-31(16-20-33)41-46-44-39(48-41)29-9-5-3-6-10-29)34-21-17-32(18-22-34)42-47-45-40(49-42)30-11-7-4-8-12-30/h3-26H,1-2H3;3-26H,1-2H3
InChIKeyQMAOCPICEDYOEX-UHFFFAOYSA-N
MW1486.03 g/mol
LogP27.26
Rot. Bonds14

About 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene

2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene (PubChem CID 91391164) has the molecular formula C90H60N4O2S8 and a molecular weight of 1486.03 g/mol. Its IUPAC name is 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
PubChem CID91391164
Molecular FormulaC90H60N4O2S8
Molecular Weight1486.03 g/mol
Exact Mass1484.25
IUPAC Name2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1)c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1.Cc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-31-29(25-27)30-26-28(2)8-10-32(30)47(31,45-21-19-43(54-45)41-17-15-39(52-41)37-13-11-35(50-37)33-5-3-23-48-33)46-22-20-44(55-46)42-18-16-40(53-42)38-14-12-36(51-38)34-6-4-24-49-34;1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)43(37,33-19-15-31(16-20-33)41-46-44-39(48-41)29-9-5-3-6-10-29)34-21-17-32(18-22-34)42-47-45-40(49-42)30-11-7-4-8-12-30/h3-26H,1-2H3;3-26H,1-2H3
InChIKeyQMAOCPICEDYOEX-UHFFFAOYSA-N
XLogP27.26
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.03
LogP ≤ 527.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene with MolForge

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Related Compounds

2-[4-[2,7-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2,7-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 90721728
2-phenyl-5-[4-[(Z)-[(5E)-5-[(5Z)-5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-[5-[5-[(E)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-[(5E)-5-[(5Z)-5-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-(5-thiophen-2-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]thiophen-2-ylidene]methyl]thiophen-2-yl]thiophen-2-yl]methylidene]thiophen-2-ylidene]thiophen-2-ylidene]-(5-thiophen-2-ylthiophen-2-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 177390539
2-(4-phenylphenyl)-5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazole
CID 2526582
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one
CID 11021744
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;1,4-bis[(E)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene;5-methyl-2-[4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;1-methyl-4-[4-[(E)-2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]benzene;2-methyl-5-[4-[(E)-2-[4-[(E)-2-[4-(5-methylthiophen-2-yl)phenyl]ethenyl]phenyl]ethenyl]phenyl]thiophene;1-phenyl-4-[(E)-2-(4-phenylphenyl)ethenyl]benzene;2-[4-[(E)-2-[4-[(E)-2-(4-thiophen-2-ylphenyl)ethenyl]phenyl]ethenyl]phenyl]thiophene
CID 158043907
2-[8,8-bis(4-tert-butylphenyl)-21,21-bis(4-prop-1-en-2-ylphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)-18-hexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaenyl]-5-thiophen-2-ylthiophene
CID 89256163
2-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59501428
2-phenyl-5-[12-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]-4-yl]-1,3,4-oxadiazole
CID 58979961
8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
CID 158761920
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene (CID 91391164) is 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene is Cc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1)c1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1.Cc1ccc2c(c1)-c1cc(C)ccc1C2(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is QMAOCPICEDYOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-31-29(25-27)30-26-28(2)8-10-32(30)47(31,45-21-19-43(54-45)41-17-15-39(52-41)37-13-11-35(50-37)33-5-3-23-48-33)46-22-20-44(55-46)42-18-16-40(53-42)38-14-12-36(51-38)34-6-4-24-49-34;1-27-13-23-37-35(25-27)36-26-28(2)14-24-38(36)43(37,33-19-15-31(16-20-33)41-46-44-39(48-41)29-9-5-3-6-10-29)34-21-17-32(18-22-34)42-47-45-40(49-42)30-11-7-4-8-12-30/h3-26H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene?
2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 1486.03 g/mol, XLogP of 27.26, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,6-dimethyl-9-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[3,6-dimethyl-9-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 91391164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).