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

C40H30N4O — CID 58903633

IUPACN-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
SMILESCc1cc(C)cc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1
InChIInChI=1S/C40H30N4O/c1-27-24-28(2)26-30(25-27)40-42-41-39(45-40)29-16-18-32(19-17-29)43(31-10-4-3-5-11-31)33-20-22-34(23-21-33)44-37-14-8-6-12-35(37)36-13-7-9-15-38(36)44/h3-26H,1-2H3
InChIKeyQVHXXHCVCVRIBZ-UHFFFAOYSA-N
MW582.71 g/mol
LogP10.59
Rot. Bonds6

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

N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline (PubChem CID 58903633) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
PubChem CID58903633
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline
SMILESCc1cc(C)cc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1
InChIInChI=1S/C40H30N4O/c1-27-24-28(2)26-30(25-27)40-42-41-39(45-40)29-16-18-32(19-17-29)43(31-10-4-3-5-11-31)33-20-22-34(23-21-33)44-37-14-8-6-12-35(37)36-13-7-9-15-38(36)44/h3-26H,1-2H3
InChIKeyQVHXXHCVCVRIBZ-UHFFFAOYSA-N
XLogP10.59
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline (CID 58903633) is N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline is Cc1cc(C)cc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
The InChIKey is QVHXXHCVCVRIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-27-24-28(2)26-30(25-27)40-42-41-39(45-40)29-16-18-32(19-17-29)43(31-10-4-3-5-11-31)33-20-22-34(23-21-33)44-37-14-8-6-12-35(37)36-13-7-9-15-38(36)44/h3-26H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline has a molecular weight of 582.71 g/mol, XLogP of 10.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-phenylaniline is sourced from PubChem (CID 58903633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).