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

C42H28N4O — CID 58903494

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine
SMILESc1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc34)o2)cc1
InChIInChI=1S/C42H28N4O/c1-3-13-29(14-4-1)41-43-44-42(47-41)37-21-11-20-34-33(37)19-12-24-38(34)45(30-15-5-2-6-16-30)31-25-27-32(28-26-31)46-39-22-9-7-17-35(39)36-18-8-10-23-40(36)46/h1-28H
InChIKeyQAXVRDMTSHIGOG-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.12
Rot. Bonds6

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

N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine (PubChem CID 58903494) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine
PubChem CID58903494
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine
SMILESc1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc34)o2)cc1
InChIInChI=1S/C42H28N4O/c1-3-13-29(14-4-1)41-43-44-42(47-41)37-21-11-20-34-33(37)19-12-24-38(34)45(30-15-5-2-6-16-30)31-25-27-32(28-26-31)46-39-22-9-7-17-35(39)36-18-8-10-23-40(36)46/h1-28H
InChIKeyQAXVRDMTSHIGOG-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-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine (CID 58903494) is N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine is c1ccc(-c2nnc(-c3cccc4c(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc34)o2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine?
The InChIKey is QAXVRDMTSHIGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-3-13-29(14-4-1)41-43-44-42(47-41)37-21-11-20-34-33(37)19-12-24-38(34)45(30-15-5-2-6-16-30)31-25-27-32(28-26-31)46-39-22-9-7-17-35(39)36-18-8-10-23-40(36)46/h1-28H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-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-(4-carbazol-9-ylphenyl)-N-phenyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-amine is sourced from PubChem (CID 58903494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).