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

C54H48N8O2 — CID 90754602

IUPAC2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(c3ccc4c(c3)c3ccccc3n4CC)=NN2c2nnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1
InChIInChI=1S/C54H48N8O2/c1-5-58(6-2)40-31-29-39(30-32-40)54(61(41-19-11-9-12-20-41)42-21-13-10-14-22-42)62(57-52(64-54)38-28-34-50-46(36-38)44-24-16-18-26-48(44)60(50)8-4)53-56-55-51(63-53)37-27-33-49-45(35-37)43-23-15-17-25-47(43)59(49)7-3/h9-36H,5-8H2,1-4H3
InChIKeyRWNHBJALGFDCOU-UHFFFAOYSA-N
MW841.03 g/mol
LogP12.69
Rot. Bonds12

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

2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine (PubChem CID 90754602) has the molecular formula C54H48N8O2 and a molecular weight of 841.03 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine
PubChem CID90754602
Molecular FormulaC54H48N8O2
Molecular Weight841.03 g/mol
Exact Mass840.39
IUPAC Name2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine
SMILESCCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(c3ccc4c(c3)c3ccccc3n4CC)=NN2c2nnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1
InChIInChI=1S/C54H48N8O2/c1-5-58(6-2)40-31-29-39(30-32-40)54(61(41-19-11-9-12-20-41)42-21-13-10-14-22-42)62(57-52(64-54)38-28-34-50-46(36-38)44-24-16-18-26-48(44)60(50)8-4)53-56-55-51(63-53)37-27-33-49-45(35-37)43-23-15-17-25-47(43)59(49)7-3/h9-36H,5-8H2,1-4H3
InChIKeyRWNHBJALGFDCOU-UHFFFAOYSA-N
XLogP12.69
TPSA80.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine (CID 90754602) is 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine is CCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(c3ccc4c(c3)c3ccccc3n4CC)=NN2c2nnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is RWNHBJALGFDCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N8O2/c1-5-58(6-2)40-31-29-39(30-32-40)54(61(41-19-11-9-12-20-41)42-21-13-10-14-22-42)62(57-52(64-54)38-28-34-50-46(36-38)44-24-16-18-26-48(44)60(50)8-4)53-56-55-51(63-53)37-27-33-49-45(35-37)43-23-15-17-25-47(43)59(49)7-3/h9-36H,5-8H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine?
2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 841.03 g/mol, XLogP of 12.69, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-5-(9-ethylcarbazol-3-yl)-3-[5-(9-ethylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]-N,N-diphenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 90754602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).