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

C42H28N4O — CID 58903548

IUPACN-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N4O/c1-3-14-31(15-4-1)45(34-26-27-40-38(28-34)36-19-9-10-21-39(36)46(40)32-16-5-2-6-17-32)33-24-22-30(23-25-33)41-43-44-42(47-41)37-20-11-13-29-12-7-8-18-35(29)37/h1-28H
InChIKeyXAXHBKVMUXJQLK-UHFFFAOYSA-N
MW604.71 g/mol
LogP11.12
Rot. Bonds6

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

N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 58903548) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID58903548
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC NameN-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C42H28N4O/c1-3-14-31(15-4-1)45(34-26-27-40-38(28-34)36-19-9-10-21-39(36)46(40)32-16-5-2-6-17-32)33-24-22-30(23-25-33)41-43-44-42(47-41)37-20-11-13-29-12-7-8-18-35(29)37/h1-28H
InChIKeyXAXHBKVMUXJQLK-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-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine (CID 58903548) is N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3nnc(-c4cccc5ccccc45)o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is XAXHBKVMUXJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-3-14-31(15-4-1)45(34-26-27-40-38(28-34)36-19-9-10-21-39(36)46(40)32-16-5-2-6-17-32)33-24-22-30(23-25-33)41-43-44-42(47-41)37-20-11-13-29-12-7-8-18-35(29)37/h1-28H.
What are the key properties of N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-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-[4-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 58903548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).