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

C50H32N4O — CID 59489385

IUPAC2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C50H32N4O/c1-3-11-33(12-4-1)34-19-25-39(26-20-34)53-45-17-9-7-15-41(45)43-31-37(23-29-47(43)53)38-24-30-48-44(32-38)42-16-8-10-18-46(42)54(48)40-27-21-36(22-28-40)50-52-51-49(55-50)35-13-5-2-6-14-35/h1-32H
InChIKeyJJKWPZWVZHOQRP-UHFFFAOYSA-N
MW704.83 g/mol
LogP12.93
Rot. Bonds6

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

2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 59489385) has the molecular formula C50H32N4O and a molecular weight of 704.83 g/mol. Its IUPAC name is 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
PubChem CID59489385
Molecular FormulaC50H32N4O
Molecular Weight704.83 g/mol
Exact Mass704.26
IUPAC Name2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C50H32N4O/c1-3-11-33(12-4-1)34-19-25-39(26-20-34)53-45-17-9-7-15-41(45)43-31-37(23-29-47(43)53)38-24-30-48-44(32-38)42-16-8-10-18-46(42)54(48)40-27-21-36(22-28-40)50-52-51-49(55-50)35-13-5-2-6-14-35/h1-32H
InChIKeyJJKWPZWVZHOQRP-UHFFFAOYSA-N
XLogP12.93
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 59489386
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole (CID 59489385) is 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is JJKWPZWVZHOQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4O/c1-3-11-33(12-4-1)34-19-25-39(26-20-34)53-45-17-9-7-15-41(45)43-31-37(23-29-47(43)53)38-24-30-48-44(32-38)42-16-8-10-18-46(42)54(48)40-27-21-36(22-28-40)50-52-51-49(55-50)35-13-5-2-6-14-35/h1-32H.
What are the key properties of 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole?
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 704.83 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 59489385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).