2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine

C27H24N4 — CID 163763499

IUPAC2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N)c(N)cc2-c2cc(N)c(N)cc21
InChIInChI=1S/C27H24N4/c1-13-3-5-15-16-6-4-14(2)8-20(16)27(19(15)7-13)21-11-25(30)23(28)9-17(21)18-10-24(29)26(31)12-22(18)27/h3-12H,28-31H2,1-2H3
InChIKeyMAFXZGBQMAXCOC-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.98
Rot. Bonds

About 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine

2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine (PubChem CID 163763499) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine.

Molecular Properties

Compound Name2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
PubChem CID163763499
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC Name2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N)c(N)cc2-c2cc(N)c(N)cc21
InChIInChI=1S/C27H24N4/c1-13-3-5-15-16-6-4-14(2)8-20(16)27(19(15)7-13)21-11-25(30)23(28)9-17(21)18-10-24(29)26(31)12-22(18)27/h3-12H,28-31H2,1-2H3
InChIKeyMAFXZGBQMAXCOC-UHFFFAOYSA-N
XLogP4.98
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine?
The IUPAC name of 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine (CID 163763499) is 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine.
What is the SMILES notation for 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine?
The canonical SMILES for 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(N)c(N)cc2-c2cc(N)c(N)cc21.
What is the InChIKey of 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine?
The InChIKey is MAFXZGBQMAXCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-13-3-5-15-16-6-4-14(2)8-20(16)27(19(15)7-13)21-11-25(30)23(28)9-17(21)18-10-24(29)26(31)12-22(18)27/h3-12H,28-31H2,1-2H3.
What are the key properties of 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine?
2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine has a molecular weight of 404.52 g/mol, XLogP of 4.98, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-9,9'-spirobi[fluorene]-2,3,6,7-tetramine is sourced from PubChem (CID 163763499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).