6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one

C34H33NO3 — CID 139781460

IUPAC6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCCN(CCCC)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C34H33NO3/c1-3-5-20-35(21-6-4-2)26-17-18-29-32(23-26)37-31-19-16-25(24-12-8-7-9-13-24)22-30(31)34(29)28-15-11-10-14-27(28)33(36)38-34/h7-19,22-23H,3-6,20-21H2,1-2H3
InChIKeyYCOFVXLRFWVNRU-UHFFFAOYSA-N
MW503.64 g/mol
LogP8.33
Rot. Bonds8

About 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one

6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 139781460) has the molecular formula C34H33NO3 and a molecular weight of 503.64 g/mol. Its IUPAC name is 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID139781460
Molecular FormulaC34H33NO3
Molecular Weight503.64 g/mol
Exact Mass503.25
IUPAC Name6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCCN(CCCC)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21
InChIInChI=1S/C34H33NO3/c1-3-5-20-35(21-6-4-2)26-17-18-29-32(23-26)37-31-19-16-25(24-12-8-7-9-13-24)22-30(31)34(29)28-15-11-10-14-27(28)33(36)38-34/h7-19,22-23H,3-6,20-21H2,1-2H3
InChIKeyYCOFVXLRFWVNRU-UHFFFAOYSA-N
XLogP8.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.64
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 20661807
6'-(diethylamino)-2'-(N-octylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704973
6'-(diethylamino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704929
(3S)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386376
(3R)-2'-[(2-chlorophenyl)methylamino]-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 129386375
3'-chloro-2'-(2-chloroanilino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139647869
6'-(dibutylamino)-2'-(2,6-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14473074
3,3-bis[4-(dibutylamino)-2-methylphenyl]-2-benzofuran-1-one;3,3-bis[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
CID 157114567
3,3-bis[4-(dibutylamino)phenyl]-2-benzofuran-1-one
CID 22292500
6'-(N-methylanilino)-2'-(N-propylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58861685
2'-anilino-6'-(dioctylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14366034
2',8'-bis(dibutylamino)-4'-phenylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
CID 56625229

Frequently Asked Questions

What is the IUPAC name of 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 139781460) is 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one is CCCCN(CCCC)c1ccc2c(c1)Oc1ccc(-c3ccccc3)cc1C21OC(=O)c2ccccc21.
What is the InChIKey of 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is YCOFVXLRFWVNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO3/c1-3-5-20-35(21-6-4-2)26-17-18-29-32(23-26)37-31-19-16-25(24-12-8-7-9-13-24)22-30(31)34(29)28-15-11-10-14-27(28)33(36)38-34/h7-19,22-23H,3-6,20-21H2,1-2H3.
What are the key properties of 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one?
6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 503.64 g/mol, XLogP of 8.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 139781460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).