2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

C65H70N4O — CID 23522277

IUPAC2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCn1c2ccccc2c2cc(C(CCC(C)n3c4ccccc4c4ccccc43)CC(CC)c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)ccc21
InChIInChI=1S/C65H70N4O/c1-4-6-7-8-9-10-11-12-13-23-44-68-60-29-20-17-28-58(60)59-46-55(42-43-61(59)68)54(33-32-47(3)69-62-30-21-18-26-56(62)57-27-19-22-31-63(57)69)45-48(5-2)49-34-36-50(37-35-49)51-38-40-53(41-39-51)65-67-66-64(70-65)52-24-15-14-16-25-52/h14-22,24-31,34-43,46-48,54H,4-13,23,32-33,44-45H2,1-3H3
InChIKeyUPUNGWKSHLAUTC-UHFFFAOYSA-N
MW923.30 g/mol
LogP18.92
Rot. Bonds23

About 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 23522277) has the molecular formula C65H70N4O and a molecular weight of 923.30 g/mol. Its IUPAC name is 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID23522277
Molecular FormulaC65H70N4O
Molecular Weight923.30 g/mol
Exact Mass922.55
IUPAC Name2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCCCCCCCCCCCn1c2ccccc2c2cc(C(CCC(C)n3c4ccccc4c4ccccc43)CC(CC)c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)ccc21
InChIInChI=1S/C65H70N4O/c1-4-6-7-8-9-10-11-12-13-23-44-68-60-29-20-17-28-58(60)59-46-55(42-43-61(59)68)54(33-32-47(3)69-62-30-21-18-26-56(62)57-27-19-22-31-63(57)69)45-48(5-2)49-34-36-50(37-35-49)51-38-40-53(41-39-51)65-67-66-64(70-65)52-24-15-14-16-25-52/h14-22,24-31,34-43,46-48,54H,4-13,23,32-33,44-45H2,1-3H3
InChIKeyUPUNGWKSHLAUTC-UHFFFAOYSA-N
XLogP18.92
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.30
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,15R,18R,19S,22S,25R,26S,27S)-2,14,14,18,19,25,26-heptamethyl-12-azaheptacyclo[16.12.0.02,15.04,13.06,11.019,28.022,27]triaconta-4,6,8,10,12,28-hexaen-22-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 137659110
2-[4-[bis(1-methylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155514778
3-[(5-cyano-1H-indol-3-yl)-[4-[5-(1-methylindol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1H-indole-5-carbonitrile
CID 155538044
2-[4-[bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155551194
2-[4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155552319
2-[4-[bis(1H-indol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155555930
2-[4-[bis(2-phenyl-1H-indol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155556585
2-[4-[Bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155562117
2-[4-[bis(1-methylindol-3-yl)methyl]phenyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 155563923
2-[4-[Bis(1-methylindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155565000
2-[4-[bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155566721
2-[4-[Bis(1-chloroindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 172449725

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 23522277) is 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is CCCCCCCCCCCCn1c2ccccc2c2cc(C(CCC(C)n3c4ccccc4c4ccccc43)CC(CC)c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)ccc21.
What is the InChIKey of 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UPUNGWKSHLAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H70N4O/c1-4-6-7-8-9-10-11-12-13-23-44-68-60-29-20-17-28-58(60)59-46-55(42-43-61(59)68)54(33-32-47(3)69-62-30-21-18-26-56(62)57-27-19-22-31-63(57)69)45-48(5-2)49-34-36-50(37-35-49)51-38-40-53(41-39-51)65-67-66-64(70-65)52-24-15-14-16-25-52/h14-22,24-31,34-43,46-48,54H,4-13,23,32-33,44-45H2,1-3H3.
What are the key properties of 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 923.30 g/mol, XLogP of 18.92, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[8-carbazol-9-yl-5-(9-dodecylcarbazol-3-yl)nonan-3-yl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 23522277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).