4-(3-nitrophenanthridin-9-yl)aniline

C19H13N3O2 — CID 154205991

IUPAC4-(3-nitrophenanthridin-9-yl)aniline
SMILESNc1ccc(-c2ccc3cnc4cc([N+](=O)[O-])ccc4c3c2)cc1
InChIInChI=1S/C19H13N3O2/c20-15-5-3-12(4-6-15)13-1-2-14-11-21-19-10-16(22(23)24)7-8-17(19)18(14)9-13/h1-11H,20H2
InChIKeyFHCDUOMEAVPNKF-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.55
Rot. Bonds2

About 4-(3-nitrophenanthridin-9-yl)aniline

4-(3-nitrophenanthridin-9-yl)aniline (PubChem CID 154205991) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(3-nitrophenanthridin-9-yl)aniline.

Molecular Properties

Compound Name4-(3-nitrophenanthridin-9-yl)aniline
PubChem CID154205991
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name4-(3-nitrophenanthridin-9-yl)aniline
SMILESNc1ccc(-c2ccc3cnc4cc([N+](=O)[O-])ccc4c3c2)cc1
InChIInChI=1S/C19H13N3O2/c20-15-5-3-12(4-6-15)13-1-2-14-11-21-19-10-16(22(23)24)7-8-17(19)18(14)9-13/h1-11H,20H2
InChIKeyFHCDUOMEAVPNKF-UHFFFAOYSA-N
XLogP4.55
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-nitrophenanthridine
CID 15065495
8-nitrotetracen-2-amine
CID 101022943
3-bromo-2H-indazol-5-amine;3-bromo-5-nitro-2H-indazole
CID 159473762
isoquinolin-7-amine;7-nitroisoquinoline
CID 23211043
8-nitrophenanthridin-6-amine
CID 90682315
5-(4-nitrophenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 141329135
1-(7-nitroquinolin-3-yl)ethanol
CID 133054214
9,32-dimethyl-16,25-dinitro-36,38-dioxa-3,4,11,20,21,30-hexazaheptacyclo[29.3.1.12,5.16,10.119,22.013,18.023,28]octatriaconta-1(35),2,4,6(37),7,9,11,13(18),14,16,19,21,23(28),24,26,29,31,33-octadecaene
CID 11114739
6-nitro-9H-carbazol-3-amine
CID 175861785
3-nitroacridin-9-amine
CID 26592
3,4-diethyl-6-nitroisoquinoline
CID 71723952
4-bromo-6-nitroisoquinoline
CID 84750887

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenanthridin-9-yl)aniline?
The IUPAC name of 4-(3-nitrophenanthridin-9-yl)aniline (CID 154205991) is 4-(3-nitrophenanthridin-9-yl)aniline.
What is the SMILES notation for 4-(3-nitrophenanthridin-9-yl)aniline?
The canonical SMILES for 4-(3-nitrophenanthridin-9-yl)aniline is Nc1ccc(-c2ccc3cnc4cc([N+](=O)[O-])ccc4c3c2)cc1.
What is the InChIKey of 4-(3-nitrophenanthridin-9-yl)aniline?
The InChIKey is FHCDUOMEAVPNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-15-5-3-12(4-6-15)13-1-2-14-11-21-19-10-16(22(23)24)7-8-17(19)18(14)9-13/h1-11H,20H2.
What are the key properties of 4-(3-nitrophenanthridin-9-yl)aniline?
4-(3-nitrophenanthridin-9-yl)aniline has a molecular weight of 315.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenanthridin-9-yl)aniline is sourced from PubChem (CID 154205991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).