9,9'-spirobi[fluorene]-2',2',7',7'-tetramine

C25H22N4 — CID 142714030

IUPAC9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
SMILESNC1(N)C=CC2=C3C=CC(N)(N)C=C3C3(C2=C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C25H22N4/c26-23(27)11-9-17-18-10-12-24(28,29)14-22(18)25(21(17)13-23)19-7-3-1-5-15(19)16-6-2-4-8-20(16)25/h1-14H,26-29H2
InChIKeyKYJOJPYHEWFZQI-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.48
Rot. Bonds

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

9,9'-spirobi[fluorene]-2',2',7',7'-tetramine (PubChem CID 142714030) has the molecular formula C25H22N4 and a molecular weight of 378.48 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
PubChem CID142714030
Molecular FormulaC25H22N4
Molecular Weight378.48 g/mol
Exact Mass378.18
IUPAC Name9,9'-spirobi[fluorene]-2',2',7',7'-tetramine
SMILESNC1(N)C=CC2=C3C=CC(N)(N)C=C3C3(C2=C1)c1ccccc1-c1ccccc13
InChIInChI=1S/C25H22N4/c26-23(27)11-9-17-18-10-12-24(28,29)14-22(18)25(21(17)13-23)19-7-3-1-5-15(19)16-6-2-4-8-20(16)25/h1-14H,26-29H2
InChIKeyKYJOJPYHEWFZQI-UHFFFAOYSA-N
XLogP2.48
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

spiro[2H-cyclopenta[a]indene-4,9'-fluorene]-2-amine
CID 167169747
9,9-diphenylfluorene;methane
CID 145331804
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
9,9-diphenylfluorene;methane
CID 145140147
2,2-ditert-butylspiro[1H-fluorene-9,9'-fluorene]
CID 163286896
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112
2'-deuterio-9,9'-spirobi[fluorene]
CID 100957959
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179

Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine?
The IUPAC name of 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine (CID 142714030) is 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine.
What is the SMILES notation for 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine?
The canonical SMILES for 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine is NC1(N)C=CC2=C3C=CC(N)(N)C=C3C3(C2=C1)c1ccccc1-c1ccccc13.
What is the InChIKey of 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine?
The InChIKey is KYJOJPYHEWFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4/c26-23(27)11-9-17-18-10-12-24(28,29)14-22(18)25(21(17)13-23)19-7-3-1-5-15(19)16-6-2-4-8-20(16)25/h1-14H,26-29H2.
What are the key properties of 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine?
9,9'-spirobi[fluorene]-2',2',7',7'-tetramine has a molecular weight of 378.48 g/mol, XLogP of 2.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-2',2',7',7'-tetramine is sourced from PubChem (CID 142714030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).