spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde

C27H18O — CID 175453260

IUPACspiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
SMILESO=CC1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C27H18O/c28-17-22-20-11-3-7-15-25(20)27(26-16-8-4-12-21(22)26)23-13-5-1-9-18(23)19-10-2-6-14-24(19)27/h1-17,22H
InChIKeyHMYIQRUPLYMJKN-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.69
Rot. Bonds1

About spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde

spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde (PubChem CID 175453260) has the molecular formula C27H18O and a molecular weight of 358.44 g/mol. Its IUPAC name is spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde.

Molecular Properties

Compound Namespiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
PubChem CID175453260
Molecular FormulaC27H18O
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Namespiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde
SMILESO=CC1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21
InChIInChI=1S/C27H18O/c28-17-22-20-11-3-7-15-25(20)27(26-16-8-4-12-21(22)26)23-13-5-1-9-18(23)19-10-2-6-14-24(19)27/h1-17,22H
InChIKeyHMYIQRUPLYMJKN-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-9-carbaldehyde
CID 11074281
2'-deuterio-9,9'-spirobi[fluorene]
CID 100957959
9H-thioxanthene-9-carbaldehyde
CID 19958681
1,3-dioxo-4H-isoquinoline-4-carbaldehyde
CID 21434491
9-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbaldehyde
CID 19958800
3-bromo-9H-fluorene-9-carbaldehyde
CID 174549083
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
spiro[26,27-dithiaheptacyclo[21.2.1.110,13.05,25.06,11.012,17.019,24]heptacosa-1,3,5(25),6(11),7,9,12(17),13,15,19(24),20,22-dodecaene-18,9'-fluorene]
CID 122522373
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129386230
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015

Frequently Asked Questions

What is the IUPAC name of spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde?
The IUPAC name of spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde (CID 175453260) is spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde.
What is the SMILES notation for spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde?
The canonical SMILES for spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde is O=CC1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21.
What is the InChIKey of spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde?
The InChIKey is HMYIQRUPLYMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O/c28-17-22-20-11-3-7-15-25(20)27(26-16-8-4-12-21(22)26)23-13-5-1-9-18(23)19-10-2-6-14-24(19)27/h1-17,22H.
What are the key properties of spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde?
spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde has a molecular weight of 358.44 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[9H-anthracene-10,9'-fluorene]-9-carbaldehyde is sourced from PubChem (CID 175453260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).