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

C38H26N4O — CID 58903694

IUPACN,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)cc1
InChIInChI=1S/C38H26N4O/c1-4-14-27(15-5-1)37-39-40-38(43-37)32-21-11-13-23-35(32)41(28-16-6-2-7-17-28)30-24-25-36-33(26-30)31-20-10-12-22-34(31)42(36)29-18-8-3-9-19-29/h1-26H
InChIKeyBJOBGSITEVPBFM-UHFFFAOYSA-N
MW554.65 g/mol
LogP9.97
Rot. Bonds6

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

N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (PubChem CID 58903694) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
PubChem CID58903694
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC NameN,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)cc1
InChIInChI=1S/C38H26N4O/c1-4-14-27(15-5-1)37-39-40-38(43-37)32-21-11-13-23-35(32)41(28-16-6-2-7-17-28)30-24-25-36-33(26-30)31-20-10-12-22-34(31)42(36)29-18-8-3-9-19-29/h1-26H
InChIKeyBJOBGSITEVPBFM-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,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (CID 58903694) is N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is c1ccc(-c2nnc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)o2)cc1.
What is the InChIKey of N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The InChIKey is BJOBGSITEVPBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-4-14-27(15-5-1)37-39-40-38(43-37)32-21-11-13-23-35(32)41(28-16-6-2-7-17-28)30-24-25-36-33(26-30)31-20-10-12-22-34(31)42(36)29-18-8-3-9-19-29/h1-26H.
What are the key properties of N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
N,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine 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,9-diphenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58903694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).