4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine

C26H22NO2P — CID 148962083

IUPAC4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
SMILESCC(C)P1(=O)c2ccccc2C2(c3ccccc3-c3ccccc32)c2occ(N)c21
InChIInChI=1S/C26H22NO2P/c1-16(2)30(28)23-14-8-7-13-21(23)26(25-24(30)22(27)15-29-25)19-11-5-3-9-17(19)18-10-4-6-12-20(18)26/h3-16H,27H2,1-2H3
InChIKeyPSAAIOFGVGARER-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.26
Rot. Bonds1

About 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine

4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine (PubChem CID 148962083) has the molecular formula C26H22NO2P and a molecular weight of 411.44 g/mol. Its IUPAC name is 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine.

Molecular Properties

Compound Name4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
PubChem CID148962083
Molecular FormulaC26H22NO2P
Molecular Weight411.44 g/mol
Exact Mass411.14
IUPAC Name4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine
SMILESCC(C)P1(=O)c2ccccc2C2(c3ccccc3-c3ccccc32)c2occ(N)c21
InChIInChI=1S/C26H22NO2P/c1-16(2)30(28)23-14-8-7-13-21(23)26(25-24(30)22(27)15-29-25)19-11-5-3-9-17(19)18-10-4-6-12-20(18)26/h3-16H,27H2,1-2H3
InChIKeyPSAAIOFGVGARER-UHFFFAOYSA-N
XLogP5.26
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2'-methyl-3'-phenyl-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan] 4'-oxide
CID 135299826
10,10-dimethyl-5-oxo-5-propan-2-ylacridophosphin-4-amine
CID 147847135
4-ethyl-4-oxo-[1,4]benzothiaphosphinino[2,3-b]furan-3-amine
CID 147618395
5,10-dioxo-2,10-di(propan-2-yl)benzo[b][1,4]benzothiaphosphinin-1-amine
CID 126670409
2,4-di(propan-2-yl)spiro[3,4-dihydrobenzo[f][1]benzofuran-3-ide-9,9'-fluorene];platinum
CID 170529068
4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline
CID 18624396
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
3-amino-8-[2-(3-amino-9,9-dimethyl-4-oxo-4-propan-2-ylphosphinolino[3,2-b]furan-2-yl)propyl]-2,4-di(propan-2-yl)furo[3,2-b]quinolin-9-one
CID 155297438
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline
CID 18624407
1a,7a-diaminonaphtho[2,3-b]oxirene-2,7-dione
CID 163884813
9,9-bis(2-tert-butylphenyl)fluorene
CID 155616112

Frequently Asked Questions

What is the IUPAC name of 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine?
The IUPAC name of 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine (CID 148962083) is 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine.
What is the SMILES notation for 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine?
The canonical SMILES for 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine is CC(C)P1(=O)c2ccccc2C2(c3ccccc3-c3ccccc32)c2occ(N)c21.
What is the InChIKey of 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine?
The InChIKey is PSAAIOFGVGARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NO2P/c1-16(2)30(28)23-14-8-7-13-21(23)26(25-24(30)22(27)15-29-25)19-11-5-3-9-17(19)18-10-4-6-12-20(18)26/h3-16H,27H2,1-2H3.
What are the key properties of 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine?
4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine has a molecular weight of 411.44 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-oxo-4'-propan-2-ylspiro[fluorene-9,9'-phosphinolino[3,2-b]furan]-3'-amine is sourced from PubChem (CID 148962083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).