2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

C46H29N3O — CID 59445184

IUPAC2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)o2)cc1
InChIInChI=1S/C46H29N3O/c1-2-12-32(13-3-1)45-47-48-46(50-45)33-20-24-36(25-21-33)49-43-26-22-34(39-18-8-14-30-10-4-6-16-37(30)39)28-41(43)42-29-35(23-27-44(42)49)40-19-9-15-31-11-5-7-17-38(31)40/h1-29H
InChIKeyYPIKUJTYTBNWPT-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59445184) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59445184
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)o2)cc1
InChIInChI=1S/C46H29N3O/c1-2-12-32(13-3-1)45-47-48-46(50-45)33-20-24-36(25-21-33)49-43-26-22-34(39-18-8-14-30-10-4-6-16-37(30)39)28-41(43)42-29-35(23-27-44(42)49)40-19-9-15-31-11-5-7-17-38(31)40/h1-29H
InChIKeyYPIKUJTYTBNWPT-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
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-[2-[2-[6-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228335
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
5-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499412
2-[4-[2-[2-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59228416
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-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59489332
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 59445214
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59445184) is 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)cc3)o2)cc1.
What is the InChIKey of 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YPIKUJTYTBNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-2-12-32(13-3-1)45-47-48-46(50-45)33-20-24-36(25-21-33)49-43-26-22-34(39-18-8-14-30-10-4-6-16-37(30)39)28-41(43)42-29-35(23-27-44(42)49)40-19-9-15-31-11-5-7-17-38(31)40/h1-29H.
What are the key properties of 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59445184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).