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

C44H30N4O — CID 58903540

IUPACN,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-11-22-39(37)44-46-45-43(49-44)32-24-26-35(27-25-32)47(33-16-6-2-7-17-33)36-28-29-42-40(30-36)38-21-12-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H
InChIKeyVBDVOWAEEJFDSC-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

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

N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (PubChem CID 58903540) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
PubChem CID58903540
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC NameN,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-11-22-39(37)44-46-45-43(49-44)32-24-26-35(27-25-32)47(33-16-6-2-7-17-33)36-28-29-42-40(30-36)38-21-12-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H
InChIKeyVBDVOWAEEJFDSC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine (CID 58903540) is N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is c1ccc(-c2ccccc2-c2nnc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
The InChIKey is VBDVOWAEEJFDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-11-22-39(37)44-46-45-43(49-44)32-24-26-35(27-25-32)47(33-16-6-2-7-17-33)36-28-29-42-40(30-36)38-21-12-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H.
What are the key properties of N,9-diphenyl-N-[4-[5-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine?
N,9-diphenyl-N-[4-[5-(2-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-(2-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 58903540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).