7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine

C25H16N4O4 — CID 102316953

IUPAC7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-c3ccc([N+](=O)[O-])cc31)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C25H16N4O4/c26-13-1-5-17-19-7-3-15(28(30)31)11-23(19)25(21(17)9-13)22-10-14(27)2-6-18(22)20-8-4-16(29(32)33)12-24(20)25/h1-12H,26-27H2
InChIKeyVZGUBUUYXKWRJL-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.01
Rot. Bonds2

About 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine

7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 102316953) has the molecular formula C25H16N4O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID102316953
Molecular FormulaC25H16N4O4
Molecular Weight436.43 g/mol
Exact Mass436.12
IUPAC Name7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-c3ccc([N+](=O)[O-])cc31)c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C25H16N4O4/c26-13-1-5-17-19-7-3-15(28(30)31)11-23(19)25(21(17)9-13)22-10-14(27)2-6-18(22)20-8-4-16(29(32)33)12-24(20)25/h1-12H,26-27H2
InChIKeyVZGUBUUYXKWRJL-UHFFFAOYSA-N
XLogP5.01
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

7,7'-dinitro-2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 101481750
8-nitrotetracen-2-amine
CID 101022943
N-(2-amino-7-nitrofluoren-9-ylidene)hydroxylamine
CID 3921876
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
6-nitro-9H-carbazol-3-amine
CID 175861785
4-(1,3,3-trimethyl-5-nitro-2H-inden-1-yl)aniline
CID 175049936
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
9,9-dimethylfluorene-2,6-diamine
CID 156512652
CID 132989920
CID 132989920
cyclopropane;3-nitroaniline
CID 175468087

Frequently Asked Questions

What is the IUPAC name of 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine (CID 102316953) is 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine is Nc1ccc2c(c1)C1(c3cc(N)ccc3-c3ccc([N+](=O)[O-])cc31)c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is VZGUBUUYXKWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O4/c26-13-1-5-17-19-7-3-15(28(30)31)11-23(19)25(21(17)9-13)22-10-14(27)2-6-18(22)20-8-4-16(29(32)33)12-24(20)25/h1-12H,26-27H2.
What are the key properties of 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine?
7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 436.43 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 102316953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).