N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine

C47H32N8O — CID 126613358

IUPACN-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)c1cccc(-n2c3ccccc3c3ccc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)n1
InChIInChI=1S/C47H32N8O/c1-30(11-9-25-48-2)38-15-7-19-44(50-38)55-40-17-5-3-13-34(40)36-23-21-32(28-43(36)55)47-53-52-46(56-47)31-22-24-42-37(27-31)35-14-4-6-18-41(35)54(42)45-20-8-16-39(51-45)33-12-10-26-49-29-33/h3-29H,2H2,1H3/b25-9-,30-11+
InChIKeyBPZFFZFNFNYLHD-DRUCCHDDSA-N
MW724.83 g/mol
LogP11.07
Rot. Bonds8

About N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine (PubChem CID 126613358) has the molecular formula C47H32N8O and a molecular weight of 724.83 g/mol. Its IUPAC name is N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine
PubChem CID126613358
Molecular FormulaC47H32N8O
Molecular Weight724.83 g/mol
Exact Mass724.27
IUPAC NameN-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)c1cccc(-n2c3ccccc3c3ccc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)n1
InChIInChI=1S/C47H32N8O/c1-30(11-9-25-48-2)38-15-7-19-44(50-38)55-40-17-5-3-13-34(40)36-23-21-32(28-43(36)55)47-53-52-46(56-47)31-22-24-42-37(27-31)35-14-4-6-18-41(35)54(42)45-20-8-16-39(51-45)33-12-10-26-49-29-33/h3-29H,2H2,1H3/b25-9-,30-11+
InChIKeyBPZFFZFNFNYLHD-DRUCCHDDSA-N
XLogP11.07
TPSA99.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine 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-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine (CID 126613358) is N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)c1cccc(-n2c3ccccc3c3ccc(-c4nnc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6cccnc6)n5)o4)cc32)n1.
What is the InChIKey of N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine?
The InChIKey is BPZFFZFNFNYLHD-DRUCCHDDSA-N. The full InChI is InChI=1S/C47H32N8O/c1-30(11-9-25-48-2)38-15-7-19-44(50-38)55-40-17-5-3-13-34(40)36-23-21-32(28-43(36)55)47-53-52-46(56-47)31-22-24-42-37(27-31)35-14-4-6-18-41(35)54(42)45-20-8-16-39(51-45)33-12-10-26-49-29-33/h3-29H,2H2,1H3/b25-9-,30-11+.
What are the key properties of N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine has a molecular weight of 724.83 g/mol, XLogP of 11.07, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-[6-[2-[5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-3-yl]-1,3,4-oxadiazol-2-yl]carbazol-9-yl]-2-pyridinyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 126613358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).