N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine

C28H21N — CID 170011896

IUPACN-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine
SMILESC=CCNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H21N/c1-2-17-29-19-15-16-23-22-11-5-8-14-26(22)28(27(23)18-19)24-12-6-3-9-20(24)21-10-4-7-13-25(21)28/h2-16,18,29H,1,17H2
InChIKeyOEWQEAODZADSAX-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.63
Rot. Bonds3

About N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine

N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170011896) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID170011896
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine
SMILESC=CCNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H21N/c1-2-17-29-19-15-16-23-22-11-5-8-14-26(22)28(27(23)18-19)24-12-6-3-9-20(24)21-10-4-7-13-25(21)28/h2-16,18,29H,1,17H2
InChIKeyOEWQEAODZADSAX-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
CID 67926242
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
2-buta-1,3-dien-2-yl-9,9'-spirobi[fluorene]
CID 153369638
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 145077293
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
CID 147413538
CID 147413538
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine (CID 170011896) is N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine is C=CCNc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is OEWQEAODZADSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-2-17-29-19-15-16-23-22-11-5-8-14-26(22)28(27(23)18-19)24-12-6-3-9-20(24)21-10-4-7-13-25(21)28/h2-16,18,29H,1,17H2.
What are the key properties of N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine?
N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 371.48 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170011896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).