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

C44H30N4O — CID 58903550

IUPAC9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-12-22-40(37)47(35-26-24-33(25-27-35)44-46-45-43(49-44)32-16-6-2-7-17-32)36-28-29-42-39(30-36)38-21-11-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H
InChIKeyWEGHPIHFZNGGQM-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

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

9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine (PubChem CID 58903550) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
PubChem CID58903550
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-12-22-40(37)47(35-26-24-33(25-27-35)44-46-45-43(49-44)32-16-6-2-7-17-32)36-28-29-42-39(30-36)38-21-11-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H
InChIKeyWEGHPIHFZNGGQM-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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Related Compounds

9-{[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl}-2,3,4,9-tetrahydro-1H-carbazole
CID 1390051
Acetonitrile;2-[4,5-di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 168345674
2-(2-Carbazol-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 59806411
9-{4-[5-(4-t-Butylphenyl)-[1,3,4] oxadiazol-2-yl]-benzyl}-9h-carbazole
CID 101416588
2,5-Bis(3-carbazol-9-ylphenyl)-1,3,4-oxadiazole
CID 102168461
2,5-Bis(2-(9h-carbazole-9-yl)phenyl)-1,3,4-oxadiazole
CID 102521602
2-[4,5-Di(carbazol-9-yl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122661578
2-[3,5-Di(carbazol-9-yl)phenyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 68023475
2-[9-(3-Fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
CID 78425829
2-(2-Fluorophenyl)-5-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 122432813
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661579
2-[4,5-Di(carbazol-9-yl)-2-[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazole
CID 122661610

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine (CID 58903550) is 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine is c1ccc(-c2nnc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
The InChIKey is WEGHPIHFZNGGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-4-14-31(15-5-1)37-20-10-12-22-40(37)47(35-26-24-33(25-27-35)44-46-45-43(49-44)32-16-6-2-7-17-32)36-28-29-42-39(30-36)38-21-11-13-23-41(38)48(42)34-18-8-3-9-19-34/h1-30H.
What are the key properties of 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine?
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)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 9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 58903550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).