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

C44H30N4O — CID 58903655

IUPACN,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C44H30N4O/c1-4-12-31(13-5-1)32-20-22-33(23-21-32)43-45-46-44(49-43)34-24-26-37(27-25-34)47(35-14-6-2-7-15-35)38-28-29-42-40(30-38)39-18-10-11-19-41(39)48(42)36-16-8-3-9-17-36/h1-30H
InChIKeyXZTOVGUSJAXZKW-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

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

N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (PubChem CID 58903655) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
PubChem CID58903655
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC NameN,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C44H30N4O/c1-4-12-31(13-5-1)32-20-22-33(23-21-32)43-45-46-44(49-43)34-24-26-37(27-25-34)47(35-14-6-2-7-15-35)38-28-29-42-40(30-38)39-18-10-11-19-41(39)48(42)36-16-8-3-9-17-36/h1-30H
InChIKeyXZTOVGUSJAXZKW-UHFFFAOYSA-N
XLogP11.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.64
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-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (CID 58903655) is N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is c1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)o3)cc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The InChIKey is XZTOVGUSJAXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-4-12-31(13-5-1)32-20-22-33(23-21-32)43-45-46-44(49-43)34-24-26-37(27-25-34)47(35-14-6-2-7-15-35)38-28-29-42-40(30-38)39-18-10-11-19-41(39)48(42)36-16-8-3-9-17-36/h1-30H.
What are the key properties of N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine has a molecular weight of 630.75 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 58903655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).