5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole

C33H23N3O2 — CID 129183300

IUPAC5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole
SMILESO=[N+]([O-])c1ccc2c(c1-c1cccc3c(-c4ccccc4)cc4ccccc4c13)CNN2c1ccccc1
InChIInChI=1S/C33H23N3O2/c37-36(38)31-19-18-30-29(21-34-35(30)24-13-5-2-6-14-24)33(31)27-17-9-16-26-28(22-10-3-1-4-11-22)20-23-12-7-8-15-25(23)32(26)27/h1-20,34H,21H2
InChIKeyHICWCRZHJSGLOE-UHFFFAOYSA-N
MW493.57 g/mol
LogP8.39
Rot. Bonds4

About 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole

5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole (PubChem CID 129183300) has the molecular formula C33H23N3O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole.

Molecular Properties

Compound Name5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole
PubChem CID129183300
Molecular FormulaC33H23N3O2
Molecular Weight493.57 g/mol
Exact Mass493.18
IUPAC Name5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole
SMILESO=[N+]([O-])c1ccc2c(c1-c1cccc3c(-c4ccccc4)cc4ccccc4c13)CNN2c1ccccc1
InChIInChI=1S/C33H23N3O2/c37-36(38)31-19-18-30-29(21-34-35(30)24-13-5-2-6-14-24)33(31)27-17-9-16-26-28(22-10-3-1-4-11-22)20-23-12-7-8-15-25(23)32(26)27/h1-20,34H,21H2
InChIKeyHICWCRZHJSGLOE-UHFFFAOYSA-N
XLogP8.39
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-nitro-1-phenylbenzo[cd]indol-2-one
CID 2841208
19-phenyl-18,19,24-triazahexacyclo[12.10.0.02,11.05,10.015,23.016,20]tetracosa-1(14),2(11),3,5,7,9,12,15(23),16(20),21-decaene
CID 129183826
4-nitro-2-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]isoindole-1,3-dione
CID 1364790
4-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)phenanthrene
CID 59638751
1,1'-biphenyl;1-nitronaphthalene
CID 174805071
5,7-diphenylbenzo[c]phenanthrene
CID 123858461
methane;1-nitroanthracen-9-ol
CID 21197329
2-(2-methylquinolin-4-yl)-4-nitroisoindole-1,3-dione
CID 4584182
3-nitroacenaphthylene-1,2-dione
CID 71120165
7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
CID 156627187
4-(8-nitronaphthalen-1-yl)-9-phenylcarbazole
CID 142725520
4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole?
The IUPAC name of 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole (CID 129183300) is 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole.
What is the SMILES notation for 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole?
The canonical SMILES for 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole is O=[N+]([O-])c1ccc2c(c1-c1cccc3c(-c4ccccc4)cc4ccccc4c13)CNN2c1ccccc1.
What is the InChIKey of 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole?
The InChIKey is HICWCRZHJSGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O2/c37-36(38)31-19-18-30-29(21-34-35(30)24-13-5-2-6-14-24)33(31)27-17-9-16-26-28(22-10-3-1-4-11-22)20-23-12-7-8-15-25(23)32(26)27/h1-20,34H,21H2.
What are the key properties of 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole?
5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole has a molecular weight of 493.57 g/mol, XLogP of 8.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-phenyl-4-(10-phenylphenanthren-4-yl)-2,3-dihydroindazole is sourced from PubChem (CID 129183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).