ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one

C33H34O — CID 145141173

IUPACethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
SMILESCC.CCCCC.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C26H16O.C5H12.C2H6/c27-25-19-11-3-7-15-23(19)26(24-16-8-4-12-20(24)25)21-13-5-1-9-17(21)18-10-2-6-14-22(18)26;1-3-5-4-2;1-2/h1-16H;3-5H2,1-2H3;1-2H3
InChIKeyHSCXFNGGGXEDHF-UHFFFAOYSA-N
MW446.63 g/mol
LogP8.82
Rot. Bonds2

About ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one

ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one (PubChem CID 145141173) has the molecular formula C33H34O and a molecular weight of 446.63 g/mol. Its IUPAC name is ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one.

Molecular Properties

Compound Nameethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
PubChem CID145141173
Molecular FormulaC33H34O
Molecular Weight446.63 g/mol
Exact Mass446.26
IUPAC Nameethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
SMILESCC.CCCCC.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C26H16O.C5H12.C2H6/c27-25-19-11-3-7-15-23(19)26(24-16-8-4-12-20(24)25)21-13-5-1-9-17(21)18-10-2-6-14-22(18)26;1-3-5-4-2;1-2/h1-16H;3-5H2,1-2H3;1-2H3
InChIKeyHSCXFNGGGXEDHF-UHFFFAOYSA-N
XLogP8.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
CID 139722204
anthracene-9,10-dione;propane
CID 162068050
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
9,9-diphenylfluorene;propane
CID 158205050
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785

Frequently Asked Questions

What is the IUPAC name of ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one?
The IUPAC name of ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one (CID 145141173) is ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one.
What is the SMILES notation for ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one?
The canonical SMILES for ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one is CC.CCCCC.O=C1c2ccccc2C2(c3ccccc31)c1ccccc1-c1ccccc12.
What is the InChIKey of ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one?
The InChIKey is HSCXFNGGGXEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O.C5H12.C2H6/c27-25-19-11-3-7-15-23(19)26(24-16-8-4-12-20(24)25)21-13-5-1-9-17(21)18-10-2-6-14-22(18)26;1-3-5-4-2;1-2/h1-16H;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one?
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one has a molecular weight of 446.63 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one is sourced from PubChem (CID 145141173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).