2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole

C56H38N8O2 — CID 132918621

IUPAC2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8nnc(-c9ccc%10c(c9)c9ccccc9n%10C)o8)ccc6n7C)ccc4n5C)o3)ccc21
InChIInChI=1S/C56H38N8O2/c1-61-45-11-7-5-9-37(45)39-27-33(15-21-47(39)61)53-57-59-55(65-53)35-17-23-51-43(29-35)41-25-31(13-19-49(41)63(51)3)32-14-20-50-42(26-32)44-30-36(18-24-52(44)64(50)4)56-60-58-54(66-56)34-16-22-48-40(28-34)38-10-6-8-12-46(38)62(48)2/h5-30H,1-4H3
InChIKeyYYBGNIOVNCXTGO-UHFFFAOYSA-N
MW854.97 g/mol
LogP13.37
Rot. Bonds5

About 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole

2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 132918621) has the molecular formula C56H38N8O2 and a molecular weight of 854.97 g/mol. Its IUPAC name is 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID132918621
Molecular FormulaC56H38N8O2
Molecular Weight854.97 g/mol
Exact Mass854.31
IUPAC Name2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole
SMILESCn1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8nnc(-c9ccc%10c(c9)c9ccccc9n%10C)o8)ccc6n7C)ccc4n5C)o3)ccc21
InChIInChI=1S/C56H38N8O2/c1-61-45-11-7-5-9-37(45)39-27-33(15-21-47(39)61)53-57-59-55(65-53)35-17-23-51-43(29-35)41-25-31(13-19-49(41)63(51)3)32-14-20-50-42(26-32)44-30-36(18-24-52(44)64(50)4)56-60-58-54(66-56)34-16-22-48-40(28-34)38-10-6-8-12-46(38)62(48)2/h5-30H,1-4H3
InChIKeyYYBGNIOVNCXTGO-UHFFFAOYSA-N
XLogP13.37
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.97
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-[4-[Bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 155562117
2-[4-[bis(1,2-dimethylindol-3-yl)methyl]phenyl]-5-(2-methyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 155566721
Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602
2-[4,5-Di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122661578
2-(4-tert-butylphenyl)-5-[4-[6-[4-[5-[4-(2-fluoropropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-9H-carbazol-3-yl]phenyl]-1,3,4-oxadiazole
CID 70904501
2-[9-(3-Fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 78425829
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661579
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661610
2,7-bis(trifluoromethyl)-9H-fluorene;2-[4-[2-fluoro-7-(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 142301722

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole (CID 132918621) is 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole is Cn1c2ccccc2c2cc(-c3nnc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8nnc(-c9ccc%10c(c9)c9ccccc9n%10C)o8)ccc6n7C)ccc4n5C)o3)ccc21.
What is the InChIKey of 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is YYBGNIOVNCXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N8O2/c1-61-45-11-7-5-9-37(45)39-27-33(15-21-47(39)61)53-57-59-55(65-53)35-17-23-51-43(29-35)41-25-31(13-19-49(41)63(51)3)32-14-20-50-42(26-32)44-30-36(18-24-52(44)64(50)4)56-60-58-54(66-56)34-16-22-48-40(28-34)38-10-6-8-12-46(38)62(48)2/h5-30H,1-4H3.
What are the key properties of 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole?
2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 854.97 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylcarbazol-3-yl)-5-[9-methyl-6-[9-methyl-6-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]carbazol-3-yl]carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 132918621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).