2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole

C92H98N4O2 — CID 58609301

IUPAC2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc(C)cc(-c5nnc(-c6ccccc6)o5)c4)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7CCCCCCCC)ccc4n5CCCCCCCC)cc32)cc1
InChIInChI=1S/C92H98N4O2/c1-7-10-13-16-19-20-23-29-54-97-77-44-42-76(43-45-77)92(75-40-32-64(4)33-41-75)84-62-71(35-46-78(84)79-47-36-72(63-85(79)92)73-55-66(6)56-74(58-73)91-94-93-90(98-91)67-30-25-24-26-31-67)70-39-51-89-83(61-70)82-60-69(38-50-88(82)96(89)53-28-22-18-15-12-9-3)68-37-49-87-81(59-68)80-57-65(5)34-48-86(80)95(87)52-27-21-17-14-11-8-2/h24-26,30-51,55-63H,7-23,27-29,52-54H2,1-6H3
InChIKeyKQVASVCSQCQOGB-UHFFFAOYSA-N
MW1291.82 g/mol
LogP26.15
Rot. Bonds31

About 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole

2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 58609301) has the molecular formula C92H98N4O2 and a molecular weight of 1291.82 g/mol. Its IUPAC name is 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID58609301
Molecular FormulaC92H98N4O2
Molecular Weight1291.82 g/mol
Exact Mass1290.77
IUPAC Name2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc(C)cc(-c5nnc(-c6ccccc6)o5)c4)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7CCCCCCCC)ccc4n5CCCCCCCC)cc32)cc1
InChIInChI=1S/C92H98N4O2/c1-7-10-13-16-19-20-23-29-54-97-77-44-42-76(43-45-77)92(75-40-32-64(4)33-41-75)84-62-71(35-46-78(84)79-47-36-72(63-85(79)92)73-55-66(6)56-74(58-73)91-94-93-90(98-91)67-30-25-24-26-31-67)70-39-51-89-83(61-70)82-60-69(38-50-88(82)96(89)53-28-22-18-15-12-9-3)68-37-49-87-81(59-68)80-57-65(5)34-48-86(80)95(87)52-27-21-17-14-11-8-2/h24-26,30-51,55-63H,7-23,27-29,52-54H2,1-6H3
InChIKeyKQVASVCSQCQOGB-UHFFFAOYSA-N
XLogP26.15
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.82
LogP ≤ 526.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-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-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole (CID 58609301) is 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole is CCCCCCCCCCOc1ccc(C2(c3ccc(C)cc3)c3cc(-c4cc(C)cc(-c5nnc(-c6ccccc6)o5)c4)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(C)ccc6n7CCCCCCCC)ccc4n5CCCCCCCC)cc32)cc1.
What is the InChIKey of 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KQVASVCSQCQOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H98N4O2/c1-7-10-13-16-19-20-23-29-54-97-77-44-42-76(43-45-77)92(75-40-32-64(4)33-41-75)84-62-71(35-46-78(84)79-47-36-72(63-85(79)92)73-55-66(6)56-74(58-73)91-94-93-90(98-91)67-30-25-24-26-31-67)70-39-51-89-83(61-70)82-60-69(38-50-88(82)96(89)53-28-22-18-15-12-9-3)68-37-49-87-81(59-68)80-57-65(5)34-48-86(80)95(87)52-27-21-17-14-11-8-2/h24-26,30-51,55-63H,7-23,27-29,52-54H2,1-6H3.
What are the key properties of 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole?
2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1291.82 g/mol, XLogP of 26.15, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-(4-decoxyphenyl)-7-[6-(6-methyl-9-octylcarbazol-3-yl)-9-octylcarbazol-3-yl]-9-(4-methylphenyl)fluoren-2-yl]-5-methylphenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 58609301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).