2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole

C58H53N5O5 — CID 143740108

IUPAC2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2ccc(OCc3cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)c3)cc21
InChIInChI=1S/C58H53N5O5/c1-57(2,3)44-24-20-42(21-25-44)55-61-59-53(67-55)40-16-12-37(13-17-40)34-65-47-30-39(36-64-46-28-29-50-49-10-8-9-11-51(49)63(7)52(50)33-46)31-48(32-47)66-35-38-14-18-41(19-15-38)54-60-62-56(68-54)43-22-26-45(27-23-43)58(4,5)6/h8-33H,34-36H2,1-7H3
InChIKeySGSYFMIOVKIDEH-UHFFFAOYSA-N
MW900.09 g/mol
LogP14.10
Rot. Bonds13

About 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 143740108) has the molecular formula C58H53N5O5 and a molecular weight of 900.09 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID143740108
Molecular FormulaC58H53N5O5
Molecular Weight900.09 g/mol
Exact Mass899.40
IUPAC Name2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2ccc(OCc3cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)c3)cc21
InChIInChI=1S/C58H53N5O5/c1-57(2,3)44-24-20-42(21-25-44)55-61-59-53(67-55)40-16-12-37(13-17-40)34-65-47-30-39(36-64-46-28-29-50-49-10-8-9-11-51(49)63(7)52(50)33-46)31-48(32-47)66-35-38-14-18-41(19-15-38)54-60-62-56(68-54)43-22-26-45(27-23-43)58(4,5)6/h8-33H,34-36H2,1-7H3
InChIKeySGSYFMIOVKIDEH-UHFFFAOYSA-N
XLogP14.10
TPSA110.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.09
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole (CID 143740108) is 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole is Cn1c2ccccc2c2ccc(OCc3cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)cc(OCc4ccc(-c5nnc(-c6ccc(C(C)(C)C)cc6)o5)cc4)c3)cc21.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is SGSYFMIOVKIDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53N5O5/c1-57(2,3)44-24-20-42(21-25-44)55-61-59-53(67-55)40-16-12-37(13-17-40)34-65-47-30-39(36-64-46-28-29-50-49-10-8-9-11-51(49)63(7)52(50)33-46)31-48(32-47)66-35-38-14-18-41(19-15-38)54-60-62-56(68-54)43-22-26-45(27-23-43)58(4,5)6/h8-33H,34-36H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 900.09 g/mol, XLogP of 14.10, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-[[3-[[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methoxy]-5-[(9-methylcarbazol-2-yl)oxymethyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 143740108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).