3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole

C43H32N6O4 — CID 100924951

IUPAC3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole
SMILESO=[N+]([O-])c1cccc(C2NNC(c3ccccc3)=C2C2(C3=C(c4ccccc4)NNC3c3cccc([N+](=O)[O-])c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H32N6O4/c50-48(51)31-19-11-17-29(25-31)41-37(39(44-46-41)27-13-3-1-4-14-27)43(35-23-9-7-21-33(35)34-22-8-10-24-36(34)43)38-40(28-15-5-2-6-16-28)45-47-42(38)30-18-12-20-32(26-30)49(52)53/h1-26,41-42,44-47H
InChIKeyUOCXUOOTUFOEHQ-UHFFFAOYSA-N
MW696.77 g/mol
LogP8.29
Rot. Bonds8

About 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole

3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole (PubChem CID 100924951) has the molecular formula C43H32N6O4 and a molecular weight of 696.77 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole
PubChem CID100924951
Molecular FormulaC43H32N6O4
Molecular Weight696.77 g/mol
Exact Mass696.25
IUPAC Name3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole
SMILESO=[N+]([O-])c1cccc(C2NNC(c3ccccc3)=C2C2(C3=C(c4ccccc4)NNC3c3cccc([N+](=O)[O-])c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C43H32N6O4/c50-48(51)31-19-11-17-29(25-31)41-37(39(44-46-41)27-13-3-1-4-14-27)43(35-23-9-7-21-33(35)34-22-8-10-24-36(34)43)38-40(28-15-5-2-6-16-28)45-47-42(38)30-18-12-20-32(26-30)49(52)53/h1-26,41-42,44-47H
InChIKeyUOCXUOOTUFOEHQ-UHFFFAOYSA-N
XLogP8.29
TPSA134.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.77
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole 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 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole (CID 100924951) is 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole is O=[N+]([O-])c1cccc(C2NNC(c3ccccc3)=C2C2(C3=C(c4ccccc4)NNC3c3cccc([N+](=O)[O-])c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole?
The InChIKey is UOCXUOOTUFOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N6O4/c50-48(51)31-19-11-17-29(25-31)41-37(39(44-46-41)27-13-3-1-4-14-27)43(35-23-9-7-21-33(35)34-22-8-10-24-36(34)43)38-40(28-15-5-2-6-16-28)45-47-42(38)30-18-12-20-32(26-30)49(52)53/h1-26,41-42,44-47H.
What are the key properties of 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole?
3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole has a molecular weight of 696.77 g/mol, XLogP of 8.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 100924951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).