4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline

C44H30N4O — CID 58903623

IUPAC4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-3-11-33(12-4-1)43-45-46-44(49-43)34-23-29-37(30-24-34)47(35-13-5-2-6-14-35)36-25-19-31(20-26-36)32-21-27-38(28-22-32)48-41-17-9-7-15-39(41)40-16-8-10-18-42(40)48/h1-30H
InChIKeyHRZJNRYOGFUIHE-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline

4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline (PubChem CID 58903623) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
PubChem CID58903623
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-3-11-33(12-4-1)43-45-46-44(49-43)34-23-29-37(30-24-34)47(35-13-5-2-6-14-35)36-25-19-31(20-26-36)32-21-27-38(28-22-32)48-41-17-9-7-15-39(41)40-16-8-10-18-42(40)48/h1-30H
InChIKeyHRZJNRYOGFUIHE-UHFFFAOYSA-N
XLogP11.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline (CID 58903623) is 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is c1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)o2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
The InChIKey is HRZJNRYOGFUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-3-11-33(12-4-1)43-45-46-44(49-43)34-23-29-37(30-24-34)47(35-13-5-2-6-14-35)36-25-19-31(20-26-36)32-21-27-38(28-22-32)48-41-17-9-7-15-39(41)40-16-8-10-18-42(40)48/h1-30H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline?
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline has a molecular weight of 630.75 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline is sourced from PubChem (CID 58903623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).