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

C42H28N4O — CID 58903511

IUPACN,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)o2)cc1
InChIInChI=1S/C42H28N4O/c1-4-14-29(15-5-1)41-43-44-42(47-41)36-23-12-22-34-33(36)21-13-25-38(34)45(30-16-6-2-7-17-30)32-26-27-40-37(28-32)35-20-10-11-24-39(35)46(40)31-18-8-3-9-19-31/h1-28H
InChIKeyWMBKYCFGEOCGQV-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.12
Rot. Bonds6

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

N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine (PubChem CID 58903511) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine
PubChem CID58903511
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC NameN,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)o2)cc1
InChIInChI=1S/C42H28N4O/c1-4-14-29(15-5-1)41-43-44-42(47-41)36-23-12-22-34-33(36)21-13-25-38(34)45(30-16-6-2-7-17-30)32-26-27-40-37(28-32)35-20-10-11-24-39(35)46(40)31-18-8-3-9-19-31/h1-28H
InChIKeyWMBKYCFGEOCGQV-UHFFFAOYSA-N
XLogP11.12
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 511.12
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-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine (CID 58903511) is N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine is c1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)o2)cc1.
What is the InChIKey of N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine?
The InChIKey is WMBKYCFGEOCGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-4-14-29(15-5-1)41-43-44-42(47-41)36-23-12-22-34-33(36)21-13-25-38(34)45(30-16-6-2-7-17-30)32-26-27-40-37(28-32)35-20-10-11-24-39(35)46(40)31-18-8-3-9-19-31/h1-28H.
What are the key properties of N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine?
N,9-diphenyl-N-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine has a molecular weight of 604.71 g/mol, XLogP of 11.12, 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-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]carbazol-3-amine is sourced from PubChem (CID 58903511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).