3,7-dinitro-9,10-dihydrophenanthren-2-amine

C14H11N3O4 — CID 625211

IUPAC3,7-dinitro-9,10-dihydrophenanthren-2-amine
SMILESNc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1CC2
InChIInChI=1S/C14H11N3O4/c15-13-6-9-2-1-8-5-10(16(18)19)3-4-11(8)12(9)7-14(13)17(20)21/h3-7H,1-2,15H2
InChIKeyCPIKCNDCGKOEII-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.85
Rot. Bonds2

About 3,7-dinitro-9,10-dihydrophenanthren-2-amine

3,7-dinitro-9,10-dihydrophenanthren-2-amine (PubChem CID 625211) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3,7-dinitro-9,10-dihydrophenanthren-2-amine.

Molecular Properties

Compound Name3,7-dinitro-9,10-dihydrophenanthren-2-amine
PubChem CID625211
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name3,7-dinitro-9,10-dihydrophenanthren-2-amine
SMILESNc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1CC2
InChIInChI=1S/C14H11N3O4/c15-13-6-9-2-1-8-5-10(16(18)19)3-4-11(8)12(9)7-14(13)17(20)21/h3-7H,1-2,15H2
InChIKeyCPIKCNDCGKOEII-UHFFFAOYSA-N
XLogP2.85
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-bromo-7-nitro-9H-fluoren-2-amine
CID 125496214
2,6-dinitro-9H-fluorene
CID 3582885
3-nitro-9,10-dihydrophenanthrene
CID 614448
(NE)-N-(5-nitro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 122491074
2,4-dinitroaniline;sulfuric acid
CID 174852217
7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepin-8-amine
CID 165113923
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
1-(13-nitro-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 45277286
copper;2,4,7-trinitro-9H-fluorene
CID 174761143
2,7-diamino-3,6-dinitrofluoren-9-one
CID 88596221
6-nitro-2-phosphanyl-3,4-dihydroisoquinolin-1-one
CID 58851470
bis((2-amino-4-nitrophenyl)azanium) dichloride
CID 139061859

Frequently Asked Questions

What is the IUPAC name of 3,7-dinitro-9,10-dihydrophenanthren-2-amine?
The IUPAC name of 3,7-dinitro-9,10-dihydrophenanthren-2-amine (CID 625211) is 3,7-dinitro-9,10-dihydrophenanthren-2-amine.
What is the SMILES notation for 3,7-dinitro-9,10-dihydrophenanthren-2-amine?
The canonical SMILES for 3,7-dinitro-9,10-dihydrophenanthren-2-amine is Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1CC2.
What is the InChIKey of 3,7-dinitro-9,10-dihydrophenanthren-2-amine?
The InChIKey is CPIKCNDCGKOEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c15-13-6-9-2-1-8-5-10(16(18)19)3-4-11(8)12(9)7-14(13)17(20)21/h3-7H,1-2,15H2.
What are the key properties of 3,7-dinitro-9,10-dihydrophenanthren-2-amine?
3,7-dinitro-9,10-dihydrophenanthren-2-amine has a molecular weight of 285.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dinitro-9,10-dihydrophenanthren-2-amine is sourced from PubChem (CID 625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).