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

C100H68N10O2 — CID 59411988

IUPAC2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1
InChIInChI=1S/C100H68N10O2/c1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h1-17,22-55,58-62H,18-21,56-57H2
InChIKeyPCIAAHANNAUJTM-UHFFFAOYSA-N
MW1441.71 g/mol
LogP24.99
Rot. Bonds16

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

2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 59411988) has the molecular formula C100H68N10O2 and a molecular weight of 1441.71 g/mol. Its IUPAC name is 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID59411988
Molecular FormulaC100H68N10O2
Molecular Weight1441.71 g/mol
Exact Mass1440.55
IUPAC Name2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1
InChIInChI=1S/C100H68N10O2/c1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h1-17,22-55,58-62H,18-21,56-57H2
InChIKeyPCIAAHANNAUJTM-UHFFFAOYSA-N
XLogP24.99
TPSA107.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.71
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-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-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 59411988) is 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is c1cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)cc(-c2nnc(-c3ccc(CCCn4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)o2)c1.
What is the InChIKey of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is PCIAAHANNAUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N10O2/c1-9-32-89-73(24-1)74-25-2-10-33-90(74)107(89)69-48-52-85-81(59-69)82-60-70(108-91-34-11-3-26-75(91)76-27-4-12-35-92(76)108)49-53-86(82)105(85)56-18-20-63-40-44-65(45-41-63)97-101-103-99(111-97)67-22-17-23-68(58-67)100-104-102-98(112-100)66-46-42-64(43-47-66)21-19-57-106-87-54-50-71(109-93-36-13-5-28-77(93)78-29-6-14-37-94(78)109)61-83(87)84-62-72(51-55-88(84)106)110-95-38-15-7-30-79(95)80-31-8-16-39-96(80)110/h1-17,22-55,58-62H,18-21,56-57H2.
What are the key properties of 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 1441.71 g/mol, XLogP of 24.99, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-5-[3-[5-[4-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]propyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).