2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

C50H33N3O — CID 59445192

IUPAC2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)cc3)o2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)41-20-10-12-22-43(41)38-26-30-47-45(32-38)46-33-39(44-23-13-11-21-42(44)35-16-6-2-7-17-35)27-31-48(46)53(47)40-28-24-37(25-29-40)50-52-51-49(54-50)36-18-8-3-9-19-36/h1-33H
InChIKeySKUQUPISMSSZAR-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.17
Rot. Bonds7

About 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole

2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 59445192) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID59445192
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)cc3)o2)cc1
InChIInChI=1S/C50H33N3O/c1-4-14-34(15-5-1)41-20-10-12-22-43(41)38-26-30-47-45(32-38)46-33-39(44-23-13-11-21-42(44)35-16-6-2-7-17-35)27-31-48(46)53(47)40-28-24-37(25-29-40)50-52-51-49(54-50)36-18-8-3-9-19-36/h1-33H
InChIKeySKUQUPISMSSZAR-UHFFFAOYSA-N
XLogP13.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole (CID 59445192) is 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5cc(-c6ccccc6-c6ccccc6)ccc54)cc3)o2)cc1.
What is the InChIKey of 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SKUQUPISMSSZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-14-34(15-5-1)41-20-10-12-22-43(41)38-26-30-47-45(32-38)46-33-39(44-23-13-11-21-42(44)35-16-6-2-7-17-35)27-31-48(46)53(47)40-28-24-37(25-29-40)50-52-51-49(54-50)36-18-8-3-9-19-36/h1-33H.
What are the key properties of 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 691.83 g/mol, XLogP of 13.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 59445192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).