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

C90H60N4O2S8 — CID 90721728

IUPAC2-[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
SMILESCc1ccc2c(c1)C(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-29-30-10-8-28(2)26-32(30)47(31(29)25-27,45-21-19-43(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;1-27-13-23-35-36-24-14-28(2)26-38(36)43(37(35)25-27,33-19-15-31(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
InChIKeyMLHDMTUPSGKAFA-UHFFFAOYSA-N
MW1486.03 g/mol
LogP27.26
Rot. Bonds14

About 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

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 (PubChem CID 90721728) has the molecular formula C90H60N4O2S8 and a molecular weight of 1486.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID90721728
Molecular FormulaC90H60N4O2S8
Molecular Weight1486.03 g/mol
Exact Mass1484.25
IUPAC Name2-[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
SMILESCc1ccc2c(c1)C(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-29-30-10-8-28(2)26-32(30)47(31(29)25-27,45-21-19-43(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;1-27-13-23-35-36-24-14-28(2)26-38(36)43(37(35)25-27,33-19-15-31(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
InChIKeyMLHDMTUPSGKAFA-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-[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 with MolForge

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Related Compounds

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
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
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-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
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 158223952
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 158311989
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
2-(7'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2'-yl)-5-phenyl-1,3,4-oxadiazole
CID 70332039
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)(c1ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)(c1ccc(-c3nnc(-c4ccccc4)o3)cc1)c1cc(C)ccc1-2.
What is the InChIKey of 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?
The InChIKey is MLHDMTUPSGKAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30S8.C43H30N4O2/c1-27-7-9-29-30-10-8-28(2)26-32(30)47(31(29)25-27,45-21-19-43(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;1-27-13-23-35-36-24-14-28(2)26-38(36)43(37(35)25-27,33-19-15-31(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-[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?
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 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-[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 is sourced from PubChem (CID 90721728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).