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

C38H26N4O — CID 58903617

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1
InChIInChI=1S/C38H26N4O/c1-3-13-27(14-4-1)37-39-40-38(43-37)33-19-9-12-22-36(33)41(28-15-5-2-6-16-28)29-23-25-30(26-24-29)42-34-20-10-7-17-31(34)32-18-8-11-21-35(32)42/h1-26H
InChIKeySDGZMCPOGHNLOA-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.97
Rot. Bonds6

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

N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 58903617) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID58903617
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESc1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1
InChIInChI=1S/C38H26N4O/c1-3-13-27(14-4-1)37-39-40-38(43-37)33-19-9-12-22-36(33)41(28-15-5-2-6-16-28)29-23-25-30(26-24-29)42-34-20-10-7-17-31(34)32-18-8-11-21-35(32)42/h1-26H
InChIKeySDGZMCPOGHNLOA-UHFFFAOYSA-N
XLogP9.97
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 59.97
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)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 58903617) is N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is c1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is SDGZMCPOGHNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-13-27(14-4-1)37-39-40-38(43-37)33-19-9-12-22-36(33)41(28-15-5-2-6-16-28)29-23-25-30(26-24-29)42-34-20-10-7-17-31(34)32-18-8-11-21-35(32)42/h1-26H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
N-(4-carbazol-9-ylphenyl)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 554.65 g/mol, XLogP of 9.97, 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)-N-phenyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 58903617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).