2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine

C28H23N — CID 58309340

IUPAC2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2ccc(N)cc21
InChIInChI=1S/C28H23N/c1-16-4-8-20-21-9-5-17(2)13-25(21)28(24(20)12-16)26-14-18(3)6-10-22(26)23-11-7-19(29)15-27(23)28/h4-15H,29H2,1-3H3
InChIKeyLTIQNCCPVYEREF-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.54
Rot. Bonds

About 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine

2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 58309340) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID58309340
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2ccc(N)cc21
InChIInChI=1S/C28H23N/c1-16-4-8-20-21-9-5-17(2)13-25(21)28(24(20)12-16)26-14-18(3)6-10-22(26)23-11-7-19(29)15-27(23)28/h4-15H,29H2,1-3H3
InChIKeyLTIQNCCPVYEREF-UHFFFAOYSA-N
XLogP6.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine (CID 58309340) is 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)ccc2-c2ccc(N)cc21.
What is the InChIKey of 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is LTIQNCCPVYEREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-16-4-8-20-21-9-5-17(2)13-25(21)28(24(20)12-16)26-14-18(3)6-10-22(26)23-11-7-19(29)15-27(23)28/h4-15H,29H2,1-3H3.
What are the key properties of 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine?
2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 373.50 g/mol, XLogP of 6.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7'-trimethyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 58309340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).