2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole

C32H24N4O — CID 162008571

IUPAC2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1.c1conn1
InChIInChI=1S/C30H22N2.C2H2N2O/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31-30(26)27;1-2-5-4-3-1/h1-21,31H;1-2H
InChIKeyYTDXPKJIJUGBNO-UHFFFAOYSA-N
MW480.57 g/mol
LogP8.53
Rot. Bonds4

About 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole

2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole (PubChem CID 162008571) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole
PubChem CID162008571
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1.c1conn1
InChIInChI=1S/C30H22N2.C2H2N2O/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31-30(26)27;1-2-5-4-3-1/h1-21,31H;1-2H
InChIKeyYTDXPKJIJUGBNO-UHFFFAOYSA-N
XLogP8.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
2-(9H-carbazol-1-yl)-N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N,6-diphenylaniline
CID 166135032
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
N,N-diphenyl-2-[3-phenyl-1-[2-(N-phenylanilino)phenyl]-9H-carbazol-2-yl]aniline
CID 166133960
N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 166134940
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
6-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697017
1-chloro-N,N-diphenyl-9H-carbazol-2-amine
CID 154703905
3-(9H-carbazol-1-yl)-N,N-bis[4-(9H-carbazol-1-yl)phenyl]aniline
CID 141212248
N,N-diphenyl-2-propan-2-ylaniline;ethene;1-propan-2-yl-9H-carbazole
CID 174958292
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole?
The IUPAC name of 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole (CID 162008571) is 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole?
The canonical SMILES for 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole is c1ccc(N(c2ccccc2)c2ccccc2-c2cccc3c2[nH]c2ccccc23)cc1.c1conn1.
What is the InChIKey of 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole?
The InChIKey is YTDXPKJIJUGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2.C2H2N2O/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)29-21-10-8-17-25(29)27-19-11-18-26-24-16-7-9-20-28(24)31-30(26)27;1-2-5-4-3-1/h1-21,31H;1-2H.
What are the key properties of 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole?
2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole has a molecular weight of 480.57 g/mol, XLogP of 8.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-N,N-diphenylaniline;oxadiazole is sourced from PubChem (CID 162008571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).