5'-benzyl-9,9'-spirobi[fluorene]-1'-amine

C32H23N — CID 166668134

IUPAC5'-benzyl-9,9'-spirobi[fluorene]-1'-amine
SMILESNc1cccc2c1C1(c3ccccc3-c3ccccc31)c1cccc(Cc3ccccc3)c1-2
InChIInChI=1S/C32H23N/c33-29-19-9-15-25-30-22(20-21-10-2-1-3-11-21)12-8-18-28(30)32(31(25)29)26-16-6-4-13-23(26)24-14-5-7-17-27(24)32/h1-19H,20,33H2
InChIKeySCXHSLHZYUMQHB-UHFFFAOYSA-N
MW421.54 g/mol
LogP7.20
Rot. Bonds2

About 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine

5'-benzyl-9,9'-spirobi[fluorene]-1'-amine (PubChem CID 166668134) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine.

Molecular Properties

Compound Name5'-benzyl-9,9'-spirobi[fluorene]-1'-amine
PubChem CID166668134
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name5'-benzyl-9,9'-spirobi[fluorene]-1'-amine
SMILESNc1cccc2c1C1(c3ccccc3-c3ccccc31)c1cccc(Cc3ccccc3)c1-2
InChIInChI=1S/C32H23N/c33-29-19-9-15-25-30-22(20-21-10-2-1-3-11-21)12-8-18-28(30)32(31(25)29)26-16-6-4-13-23(26)24-14-5-7-17-27(24)32/h1-19H,20,33H2
InChIKeySCXHSLHZYUMQHB-UHFFFAOYSA-N
XLogP7.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
2-(2-aminophenyl)-3-benzylaniline
CID 139509326
5'-[(3-methylphenyl)methyl]-9,9'-spirobi[fluorene]-2'-amine
CID 129311002
5'-benzyl-3',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142480511
9-phenyl-3-[4-[4-(9,9'-spirobi[fluorene]-4'-ylmethyl)phenyl]phenyl]carbazole
CID 158819687
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
4-benzylnaphthalene-1,8-diamine
CID 19896349
4-benzyl-9-phenyl-9H-fluorene
CID 175580002
1,4-dibenzylanthracene-9,10-dione;1,5-dibenzylanthracene-9,10-dione
CID 159427852
2-[2-[9-phenyl-9-(10-phenylanthracen-9-yl)fluoren-2-yl]ethyl]aniline
CID 145384372
acetic acid;2-benzylaniline
CID 174872932

Frequently Asked Questions

What is the IUPAC name of 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine?
The IUPAC name of 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine (CID 166668134) is 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine.
What is the SMILES notation for 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine?
The canonical SMILES for 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine is Nc1cccc2c1C1(c3ccccc3-c3ccccc31)c1cccc(Cc3ccccc3)c1-2.
What is the InChIKey of 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine?
The InChIKey is SCXHSLHZYUMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c33-29-19-9-15-25-30-22(20-21-10-2-1-3-11-21)12-8-18-28(30)32(31(25)29)26-16-6-4-13-23(26)24-14-5-7-17-27(24)32/h1-19H,20,33H2.
What are the key properties of 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine?
5'-benzyl-9,9'-spirobi[fluorene]-1'-amine has a molecular weight of 421.54 g/mol, XLogP of 7.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-benzyl-9,9'-spirobi[fluorene]-1'-amine is sourced from PubChem (CID 166668134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).