7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol

C25H18N2O4 — CID 153342571

IUPAC7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-c3cc(O)c(O)cc31)c1cc(O)c(O)cc1-2
InChIInChI=1S/C25H18N2O4/c26-11-1-3-13-15-7-21(28)23(30)9-19(15)25(17(13)5-11)18-6-12(27)2-4-14(18)16-8-22(29)24(31)10-20(16)25/h1-10,28-31H,26-27H2
InChIKeyJPGMSVOTRGJINF-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.02
Rot. Bonds

About 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol

7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol (PubChem CID 153342571) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol.

Molecular Properties

Compound Name7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol
PubChem CID153342571
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol
SMILESNc1ccc2c(c1)C1(c3cc(N)ccc3-c3cc(O)c(O)cc31)c1cc(O)c(O)cc1-2
InChIInChI=1S/C25H18N2O4/c26-11-1-3-13-15-7-21(28)23(30)9-19(15)25(17(13)5-11)18-6-12(27)2-4-14(18)16-8-22(29)24(31)10-20(16)25/h1-10,28-31H,26-27H2
InChIKeyJPGMSVOTRGJINF-UHFFFAOYSA-N
XLogP4.02
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 54.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
CID 58309340
7,7'-dinitro-9,9'-spirobi[fluorene]-2,2'-diamine
CID 102316953
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
CID 163763499
5-amino-2-(2,5-diaminophenyl)phenol
CID 22023387
5-(4-amino-2-hydroxyphenyl)benzene-1,3-diol
CID 22023326
9,9-dimethylfluorene-2,6-diamine
CID 156512652
5-amino-2-[1,4,4-tris(4-amino-2-hydroxyphenyl)cyclohexyl]phenol
CID 153497972

Frequently Asked Questions

What is the IUPAC name of 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol?
The IUPAC name of 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol (CID 153342571) is 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol.
What is the SMILES notation for 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol?
The canonical SMILES for 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol is Nc1ccc2c(c1)C1(c3cc(N)ccc3-c3cc(O)c(O)cc31)c1cc(O)c(O)cc1-2.
What is the InChIKey of 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol?
The InChIKey is JPGMSVOTRGJINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c26-11-1-3-13-15-7-21(28)23(30)9-19(15)25(17(13)5-11)18-6-12(27)2-4-14(18)16-8-22(29)24(31)10-20(16)25/h1-10,28-31H,26-27H2.
What are the key properties of 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol?
7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol has a molecular weight of 410.43 g/mol, XLogP of 4.02, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7'-diamino-9,9'-spirobi[fluorene]-2,2',3,3'-tetrol is sourced from PubChem (CID 153342571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).