3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine

C26H20N2 — CID 121368255

IUPAC3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2cc(N)ccc2-c2ccc(N)cc21
InChIInChI=1S/C26H20N2/c1-15-6-11-23-21(12-15)18-4-2-3-5-22(18)26(23)24-13-16(27)7-9-19(24)20-10-8-17(28)14-25(20)26/h2-14H,27-28H2,1H3
InChIKeyQQVHKQRTBZHIEA-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.50
Rot. Bonds

About 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine

3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 121368255) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID121368255
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESCc1ccc2c(c1)-c1ccccc1C21c2cc(N)ccc2-c2ccc(N)cc21
InChIInChI=1S/C26H20N2/c1-15-6-11-23-21(12-15)18-4-2-3-5-22(18)26(23)24-13-16(27)7-9-19(24)20-10-8-17(28)14-25(20)26/h2-14H,27-28H2,1H3
InChIKeyQQVHKQRTBZHIEA-UHFFFAOYSA-N
XLogP5.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Aminofluoranthene
CID 17599
Xylidine
CID 56846457
2-Aminopyrene
CID 107762
4,4'-(9-Fluorenylidene)dianiline
CID 631552
2-Chrysenamine
CID 13092
8-Aminofluoranthene
CID 22157
1-Fluoranthenamine
CID 25756
2-Aminofluoranthene
CID 25757
1,6-Diaminopyrene
CID 146178
1,8-Diaminopyrene
CID 169139
9,9-Bis(4-amino-3-methylphenyl)fluorene
CID 21872150
9,9-Bis(4-amino-3-fluorophenyl)fluorene
CID 44629774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine (CID 121368255) is 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine is Cc1ccc2c(c1)-c1ccccc1C21c2cc(N)ccc2-c2ccc(N)cc21.
What is the InChIKey of 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is QQVHKQRTBZHIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-15-6-11-23-21(12-15)18-4-2-3-5-22(18)26(23)24-13-16(27)7-9-19(24)20-10-8-17(28)14-25(20)26/h2-14H,27-28H2,1H3.
What are the key properties of 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine?
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 360.46 g/mol, XLogP of 5.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 121368255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).