9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde

C29H16O4 — CID 14334392

IUPAC9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3cc(C=O)ccc3-2)c2cc(C=O)ccc2-c2ccc(C=O)cc21
InChIInChI=1S/C29H16O4/c30-13-17-1-5-21-22-6-2-18(14-31)10-26(22)29(25(21)9-17)27-11-19(15-32)3-7-23(27)24-8-4-20(16-33)12-28(24)29/h1-16H
InChIKeyLSYPGFOPUQWATH-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.28
Rot. Bonds4

About 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde

9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde (PubChem CID 14334392) has the molecular formula C29H16O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde.

Molecular Properties

Compound Name9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
PubChem CID14334392
Molecular FormulaC29H16O4
Molecular Weight428.44 g/mol
Exact Mass428.10
IUPAC Name9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3cc(C=O)ccc3-2)c2cc(C=O)ccc2-c2ccc(C=O)cc21
InChIInChI=1S/C29H16O4/c30-13-17-1-5-21-22-6-2-18(14-31)10-26(22)29(25(21)9-17)27-11-19(15-32)3-7-23(27)24-8-4-20(16-33)12-28(24)29/h1-16H
InChIKeyLSYPGFOPUQWATH-UHFFFAOYSA-N
XLogP5.28
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
CID 22016048
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
9-methylidenefluorene-2,7-dicarbaldehyde
CID 89093906
4-[6-(4-formylphenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzaldehyde
CID 58544474
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
CID 58444291
4-[(Z)-2-[2',7-bis[(E)-2-pyridin-4-ylethenyl]-7'-[(Z)-2-pyridin-4-ylethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]pyridine
CID 177487151
(1S,8S,15S)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene-4,11,18-tricarbaldehyde
CID 71560741
naphthalene-2,6-dicarbaldehyde
CID 159038637
7-[7-(7-formyl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene-2-carbaldehyde
CID 23624923
6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
CID 89335581

Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde?
The IUPAC name of 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde (CID 14334392) is 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde.
What is the SMILES notation for 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde?
The canonical SMILES for 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde is O=Cc1ccc2c(c1)C1(c3cc(C=O)ccc3-2)c2cc(C=O)ccc2-c2ccc(C=O)cc21.
What is the InChIKey of 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde?
The InChIKey is LSYPGFOPUQWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16O4/c30-13-17-1-5-21-22-6-2-18(14-31)10-26(22)29(25(21)9-17)27-11-19(15-32)3-7-23(27)24-8-4-20(16-33)12-28(24)29/h1-16H.
What are the key properties of 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde?
9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde has a molecular weight of 428.44 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde is sourced from PubChem (CID 14334392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).