7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine

C31H23NO — CID 146215867

IUPAC7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
SMILESNc1ccc2c(c1)C1(C3=C(CCC=C3)Oc3ccccc31)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C31H23NO/c32-22-15-17-24-23-16-14-21(20-8-2-1-3-9-20)18-27(23)31(28(24)19-22)25-10-4-6-12-29(25)33-30-13-7-5-11-26(30)31/h1-6,8-12,14-19H,7,13,32H2
InChIKeyGEMQNWHEZOWLER-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.25
Rot. Bonds1

About 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine

7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine (PubChem CID 146215867) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
PubChem CID146215867
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
SMILESNc1ccc2c(c1)C1(C3=C(CCC=C3)Oc3ccccc31)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C31H23NO/c32-22-15-17-24-23-16-14-21(20-8-2-1-3-9-20)18-27(23)31(28(24)19-22)25-10-4-6-12-29(25)33-30-13-7-5-11-26(30)31/h1-6,8-12,14-19H,7,13,32H2
InChIKeyGEMQNWHEZOWLER-UHFFFAOYSA-N
XLogP7.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
CID 163961463
N-dibenzothiophen-2-yl-N-spiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167095129
2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
CID 137455213
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
2-[4-(10,10-dimethylspiro[7,8-dihydroanthracene-9,9'-xanthene]-2-yl)phenyl]-4-phenylquinoline
CID 146495577
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280

Frequently Asked Questions

What is the IUPAC name of 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine?
The IUPAC name of 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine (CID 146215867) is 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine.
What is the SMILES notation for 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine?
The canonical SMILES for 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine is Nc1ccc2c(c1)C1(C3=C(CCC=C3)Oc3ccccc31)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine?
The InChIKey is GEMQNWHEZOWLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c32-22-15-17-24-23-16-14-21(20-8-2-1-3-9-20)18-27(23)31(28(24)19-22)25-10-4-6-12-29(25)33-30-13-7-5-11-26(30)31/h1-6,8-12,14-19H,7,13,32H2.
What are the key properties of 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine?
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine has a molecular weight of 425.53 g/mol, XLogP of 7.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 146215867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).