2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C92H86N8O2 — CID 59411999

IUPAC2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nnc(-c7cccc(-c8nnc(-c9ccc(CCCc%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13CC(C)C)ccc%10n%11CC(C)C)cc9)o8)c7)o6)cc5)ccc3n4CC(C)C)ccc21
InChIInChI=1S/C92H86N8O2/c1-57(2)53-97-81-24-11-9-22-73(81)77-49-67(36-42-85(77)97)69-38-44-87-79(51-69)75-46-63(30-40-83(75)99(87)55-59(5)6)18-13-16-61-26-32-65(33-27-61)89-93-95-91(101-89)71-20-15-21-72(48-71)92-96-94-90(102-92)66-34-28-62(29-35-66)17-14-19-64-31-41-84-76(47-64)80-52-70(39-45-88(80)100(84)56-60(7)8)68-37-43-86-78(50-68)74-23-10-12-25-82(74)98(86)54-58(3)4/h9-12,15,20-52,57-60H,13-14,16-19,53-56H2,1-8H3
InChIKeyJDPLLNGRXLVIFH-UHFFFAOYSA-N
MW1335.75 g/mol
LogP23.86
Rot. Bonds22

About 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 59411999) has the molecular formula C92H86N8O2 and a molecular weight of 1335.75 g/mol. Its IUPAC name is 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID59411999
Molecular FormulaC92H86N8O2
Molecular Weight1335.75 g/mol
Exact Mass1334.69
IUPAC Name2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nnc(-c7cccc(-c8nnc(-c9ccc(CCCc%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13CC(C)C)ccc%10n%11CC(C)C)cc9)o8)c7)o6)cc5)ccc3n4CC(C)C)ccc21
InChIInChI=1S/C92H86N8O2/c1-57(2)53-97-81-24-11-9-22-73(81)77-49-67(36-42-85(77)97)69-38-44-87-79(51-69)75-46-63(30-40-83(75)99(87)55-59(5)6)18-13-16-61-26-32-65(33-27-61)89-93-95-91(101-89)71-20-15-21-72(48-71)92-96-94-90(102-92)66-34-28-62(29-35-66)17-14-19-64-31-41-84-76(47-64)80-52-70(39-45-88(80)100(84)56-60(7)8)68-37-43-86-78(50-68)74-23-10-12-25-82(74)98(86)54-58(3)4/h9-12,15,20-52,57-60H,13-14,16-19,53-56H2,1-8H3
InChIKeyJDPLLNGRXLVIFH-UHFFFAOYSA-N
XLogP23.86
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.75
LogP ≤ 523.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 59411999) is 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nnc(-c7cccc(-c8nnc(-c9ccc(CCCc%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13CC(C)C)ccc%10n%11CC(C)C)cc9)o8)c7)o6)cc5)ccc3n4CC(C)C)ccc21.
What is the InChIKey of 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is JDPLLNGRXLVIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H86N8O2/c1-57(2)53-97-81-24-11-9-22-73(81)77-49-67(36-42-85(77)97)69-38-44-87-79(51-69)75-46-63(30-40-83(75)99(87)55-59(5)6)18-13-16-61-26-32-65(33-27-61)89-93-95-91(101-89)71-20-15-21-72(48-71)92-96-94-90(102-92)66-34-28-62(29-35-66)17-14-19-64-31-41-84-76(47-64)80-52-70(39-45-88(80)100(84)56-60(7)8)68-37-43-86-78(50-68)74-23-10-12-25-82(74)98(86)54-58(3)4/h9-12,15,20-52,57-60H,13-14,16-19,53-56H2,1-8H3.
What are the key properties of 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1335.75 g/mol, XLogP of 23.86, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-5-[3-[5-[4-[3-[9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazol-3-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59411999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).