benzene-1,2-diamine;1,1'-spirobi[fluorene]

C31H24N2 — CID 121350857

IUPACbenzene-1,2-diamine;1,1'-spirobi[fluorene]
SMILESC1=CC2(C=CC=C3C2=Cc2ccccc23)C2=Cc3ccccc3C2=C1.Nc1ccccc1N
InChIInChI=1S/C25H16.C6H8N2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)14-6-12-22-20-10-4-2-8-18(20)16-24(22)25;7-5-3-1-2-4-6(5)8/h1-16H;1-4H,7-8H2
InChIKeyAPADXMIFVTXHCR-UHFFFAOYSA-N
MW424.55 g/mol
LogP6.92
Rot. Bonds

About benzene-1,2-diamine;1,1'-spirobi[fluorene]

benzene-1,2-diamine;1,1'-spirobi[fluorene] (PubChem CID 121350857) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is benzene-1,2-diamine;1,1'-spirobi[fluorene].

Molecular Properties

Compound Namebenzene-1,2-diamine;1,1'-spirobi[fluorene]
PubChem CID121350857
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Namebenzene-1,2-diamine;1,1'-spirobi[fluorene]
SMILESC1=CC2(C=CC=C3C2=Cc2ccccc23)C2=Cc3ccccc3C2=C1.Nc1ccccc1N
InChIInChI=1S/C25H16.C6H8N2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)14-6-12-22-20-10-4-2-8-18(20)16-24(22)25;7-5-3-1-2-4-6(5)8/h1-16H;1-4H,7-8H2
InChIKeyAPADXMIFVTXHCR-UHFFFAOYSA-N
XLogP6.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8'-chlorospiro[fluorene-1,4'-indeno[1,2-b]pyridine]
CID 140863457
2'-nitro-1,1'-spirobi[fluorene]
CID 69450248
1,1'-spirobi[xanthene]
CID 142709696
4-phenyl-6-(2-phenylphenyl)-5-(1,1'-spirobi[fluorene]-2'-yl)triazine
CID 171060145
bicyclo[4.2.0]octa-1,3,5,7-tetraen-7-amine;hydrochloride
CID 18627824
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
1,1,3,3-tetramethyl-2H-fluorene
CID 154019183
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133775
N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133412
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804
CID 175145864
CID 175145864

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;1,1'-spirobi[fluorene]?
The IUPAC name of benzene-1,2-diamine;1,1'-spirobi[fluorene] (CID 121350857) is benzene-1,2-diamine;1,1'-spirobi[fluorene].
What is the SMILES notation for benzene-1,2-diamine;1,1'-spirobi[fluorene]?
The canonical SMILES for benzene-1,2-diamine;1,1'-spirobi[fluorene] is C1=CC2(C=CC=C3C2=Cc2ccccc23)C2=Cc3ccccc3C2=C1.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;1,1'-spirobi[fluorene]?
The InChIKey is APADXMIFVTXHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C6H8N2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)14-6-12-22-20-10-4-2-8-18(20)16-24(22)25;7-5-3-1-2-4-6(5)8/h1-16H;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;1,1'-spirobi[fluorene]?
benzene-1,2-diamine;1,1'-spirobi[fluorene] has a molecular weight of 424.55 g/mol, XLogP of 6.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;1,1'-spirobi[fluorene] is sourced from PubChem (CID 121350857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).