2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C48H31N3O — CID 59500817

IUPAC2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8ccccc8c7)cc6)ccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C48H31N3O/c1-3-10-36(11-4-1)47-49-50-48(52-47)37-22-19-35(20-23-37)41-26-28-46-44(31-41)43-30-40(25-27-45(43)51(46)42-13-5-2-6-14-42)34-17-15-33(16-18-34)39-24-21-32-9-7-8-12-38(32)29-39/h1-31H
InChIKeyGAHUTJOUQXCZCX-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.65
Rot. Bonds6

About 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59500817) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59500817
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8ccccc8c7)cc6)ccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C48H31N3O/c1-3-10-36(11-4-1)47-49-50-48(52-47)37-22-19-35(20-23-37)41-26-28-46-44(31-41)43-30-40(25-27-45(43)51(46)42-13-5-2-6-14-42)34-17-15-33(16-18-34)39-24-21-32-9-7-8-12-38(32)29-39/h1-31H
InChIKeyGAHUTJOUQXCZCX-UHFFFAOYSA-N
XLogP12.65
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
2-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228416
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
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
4-(6,9-diphenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-[4-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;4-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158158334
2-[4-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-[4-[2-[2-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 159721088
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59500817) is 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccc8ccccc8c7)cc6)ccc4n5-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GAHUTJOUQXCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-10-36(11-4-1)47-49-50-48(52-47)37-22-19-35(20-23-37)41-26-28-46-44(31-41)43-30-40(25-27-45(43)51(46)42-13-5-2-6-14-42)34-17-15-33(16-18-34)39-24-21-32-9-7-8-12-38(32)29-39/h1-31H.
What are the key properties of 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 665.80 g/mol, XLogP of 12.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59500817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).